| SpectraBase Spectrum ID |
LPi6KFqV3xb |
| Name |
Anacardic acid diene, 2me derivative (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.266445016 u |
| Formula |
C24H36O3 |
| InChI |
InChI=1S/C24H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(26-2)23(21)24(25)27-3/h6-7,9-10,17,19-20H,4-5,8,11-16,18H2,1-3H3/b7-6-,10-9- |
| InChIKey |
XVOXBYBDLFFCOK-HZJYTTRNSA-N |
| Molecular Weight |
372.549 g/mol |
| SMILES |
C(\C=C/CCCCCCCC1=C(C(=CC=C1)OC)C(OC)=O)\C=C/CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86158 |
