| SpectraBase Spectrum ID |
35JgKeX39ZC |
| Name |
(E)-1-(4'-Hydroxyphenyl)-octadec-13-en-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.287180462 u |
| Formula |
C24H38O2 |
| InChI |
InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23(25)17-14-13-15-22-18-20-24(26)21-19-22/h5-6,18-21,26H,2-4,7-17H2,1H3/b6-5+ |
| InChIKey |
AHNNTEHYIRIWKP-AATRIKPKSA-N |
| Molecular Weight |
358.566 g/mol |
| SMILES |
C(=O)(CCCCC1=CC=C(O)C=C1)CCCCCCC\C=C\CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953939 |
