4-Methoxyacetophenone
NMRanalyst Sample Application
||||||||
 

Sample Description:

 Molecular Formula: C9H10O2
Molecular Weight: 150.174
InChI= 1/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
IUPAC Name:  1-(4-Methoxyphenyl)ethanone
CAS Number: 100-06-1
PubChem: 7476
NMRShiftDB: 10024793
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton819286024.11-1664.922?
carbon81928820000.00-2113.177?


1D Proton Spectrum:

1D Proton Spectrum


1D Carbon Spectrum (Deuterated Solvent Resonances Subtracted):

1D Carbon Spectrum


 

Automated VerifyIt Proton Assignments:

Proton Assignments
 

Automated VerifyIt Carbon Assignments:

Carbon Assignments

Top 10 FindIt Molecular Structures Consistent With Molecular Formula and Proton Resonances:

The correct structure is at position 1.

FindIt Structures

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.980433 (    7476)    2: 0.971946 (    7455)    3: 0.971137 (   68481)
    4: 0.969414 (   11460)    5: 0.967436 (    7435)    6: 0.963288 (   33094)
    7: 0.952268 (   15068)    8: 0.951512 (  283285)    9: 0.947753 (  265112)
   10: 0.947648 (   11892)
			

Top 10 FindIt Molecular Structures Consistent With Proton and Carbon Resonances:

The correct structure is at position 1.

FindIt Structures

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.973327 (    7476)    2: 0.904947 ( 6430837)    3: 0.904845 (  587660)
    4: 0.885206 ( 3548931)    5: 0.884709 ( 2461195)    6: 0.875523 ( 2317803)
    7: 0.873329 (  301079)    8: 0.868998 ( 2064233)    9: 0.868870 ( 4713202)
   10: 0.867286 ( 3034157)
			

Comments:

FindIt identifies the correct structure at the top position.


© 1999-2015 ScienceSoft, LLC. All Rights Reserved. ScienceSoft Site Map