Hexylamine
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C6H15N
Molecular Weight: 101.190
InChI= 1/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3
IUPAC Name:  Hexan-1-amine
CAS Number: 111-26-2
PubChem: 8102
NMRShiftDB: 20096515
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton819286024.11-1665.606?
carbon819212820000.00-2109.814?


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: 0.981126 (    8102)    2: 0.948113 (   21405)    3: 0.947761 (   99014)
    4: 0.946272 (   12049)    5: 0.944761 (   86062)    6: 0.944113 ( 3055957)
    7: 0.942645 (  418247)    8: 0.942491 (  219608)    9: 0.941524 (  642325)
   10: 0.938879 (   89416)
			

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: 0.975591 (    8102)    2: 0.956947 (  204300)    3: 0.946548 (  246251)
    4: 0.945203 ( 7021157)    5: 0.944181 (10192647)    6: 0.939106 (  533853)
    7: 0.937302 (  178627)    8: 0.935768 (  178628)    9: 0.934636 (  312406)
   10: 0.933489 (  634398)
			

Comments:

FindIt identifies the correct structure at the top place.


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