| SpectraBase Spectrum ID |
GP7HTugMxA8 |
| Name |
Glutaric acid, hept-2-yl dec-4-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-4-6-8-9-10-11-12-14-19-25-21(23)17-15-18-22(24)26-20(3)16-13-7-5-2/h10-11,20H,4-9,12-19H2,1-3H3/b11-10+ |
| InChIKey |
COQDJZZGLKJUFP-ZHACJKMWSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(CCC(OC(C)CCCCC)=O)C(OCCC\C=C\CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956533 |
