p-Methoxyphenol
NMRanalyst Sample Application
||||||||
 

Sample Description:

 Molecular Formula: C7H8O2
Molecular Weight: 124.137
InChI= 1/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
IUPAC Name:  4-Hydroxyanisole
CAS Number: 150-76-5
PubChem: 9015
NMRShiftDB: 10009217
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton819286024.11-1665.404?
carbon819224820000.00-2113.658?


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: 0.988149 (    9015)    2: 0.985577 (     460)    3: 0.984324 (    9007)
    4: 0.941987 (   10333)    5: 0.937372 (    9958)    6: 0.936048 (   11843)
    7: 0.932394 (     340)    8: 0.929668 (    7253)    9: 0.927025 ( 3621402)
   10: 0.921738 (11170965)
			

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: 0.984237 (    9015)    2: 0.962800 ( 2304899)    3: 0.956925 (10887988)
    4: 0.947570 (   77023)    5: 0.944375 (11303523)    6: 0.937801 (  177094)
    7: 0.933036 (10583220)    8: 0.930622 (11073921)    9: 0.928993 (    7732)
   10: 0.928958 ( 4610879)
			

Comments:

FindIt identifies the correct structure at its top position.


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