| SpectraBase Spectrum ID |
9eoZ4qb31IS |
| Name |
Adipic acid, .beta.-citronellyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.277009700 u |
| Formula |
C21H38O4 |
| InChI |
InChI=1S/C21H38O4/c1-5-6-9-16-24-20(22)13-7-8-14-21(23)25-17-15-19(4)12-10-11-18(2)3/h11,19H,5-10,12-17H2,1-4H3 |
| InChIKey |
DIUMTCGCGBTKEQ-UHFFFAOYSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844666 |
