SpectraBase Spectrum ID |
terAyO4x6v |
Name |
Dehydrothalebanin-B;[senecioic-acid-(Z)-N-methyl-N-(phenylethenyl)-amide] |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
215.131014170 u |
Formula |
C14H17NO |
InChI |
InChI=1S/C14H17NO/c1-12(2)11-14(16)15(3)10-9-13-7-5-4-6-8-13/h4-11H,1-3H3/b10-9- |
InChIKey |
ZXXVSLVNOUPLEH-KTKRTIGZSA-N |
Molecular Weight |
215.296 g/mol |
SMILES |
C(N(\C=C/C1=CC=CC=C1)C)(C=C(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900025 |