| SpectraBase Spectrum ID |
L5Bb6Vp4JNA |
| Name |
1-(3',3'-Dihydroxyphenyl)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 |
374.282095081 u |
| Formula |
C24H38O3 |
| InChI |
InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-22(25)19-14-13-16-21-17-15-20-23(26)24(21)27/h5-6,15,17,20,26-27H,2-4,7-14,16,18-19H2,1H3/b6-5+ |
| InChIKey |
ZGQAJXNDBULFDW-AATRIKPKSA-N |
| Molecular Weight |
374.565 g/mol |
| SMILES |
C=1(C(O)=CC=CC1CCCCC(=O)CCCCCCC\C=C\CCCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873899 |
