Details
Stereochemistry | ACHIRAL |
Molecular Formula | C13H13NO2 |
Molecular Weight | 215.2478 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
ON1CC(CC2=CC=CC=C2)=C(C=O)C=C1
InChI
InChIKey=PHSAQLJHWJOCBJ-UHFFFAOYSA-N
InChI=1S/C13H13NO2/c15-10-12-6-7-14(16)9-13(12)8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2
Molecular Formula | C13H13NO2 |
Molecular Weight | 215.2478 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:11:33 GMT 2023
by
admin
on
Sat Dec 16 09:11:33 GMT 2023
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Record UNII |
W43Q2OVD5W
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Record Status |
Validated (UNII)
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Record Version |
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-
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W43Q2OVD5W
Created by
admin on Sat Dec 16 09:11:33 GMT 2023 , Edited by admin on Sat Dec 16 09:11:33 GMT 2023
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405914-36-5
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admin on Sat Dec 16 09:11:33 GMT 2023 , Edited by admin on Sat Dec 16 09:11:33 GMT 2023
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636583
Created by
admin on Sat Dec 16 09:11:33 GMT 2023 , Edited by admin on Sat Dec 16 09:11:33 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> CONSTITUENT ALWAYS PRESENT |
The structure elucidation of the isolated compound was based primarily on 1D and 2D NMR spectroscopic analyses, including 1H1H COSY, 1H13C HMQC, 1H13C HMBC and 1H1H NOESY experiments, as well as from 1H15N NMR HMBC correlations.
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