| SpectraBase Spectrum ID |
KD4xj0O2wE9 |
| Name |
(+-)-(Z)-3-methyl-7-phenyl-6-heptenal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.135765199 u |
| Formula |
C14H18O |
| InChI |
InChI=1S/C14H18O/c1-13(11-12-15)7-5-6-10-14-8-3-2-4-9-14/h2-4,6,8-10,12-13H,5,7,11H2,1H3/b10-6- |
| InChIKey |
NVYATPUSXRTRKE-POHAHGRESA-N |
| Molecular Weight |
202.297 g/mol |
| SMILES |
C(\C=C/C=1C=CC=CC1)CC(CC=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943173 |
