| SpectraBase Spectrum ID |
4o9yRi8Hzq2 |
| Name |
Glutaric acid, 3-methylbut-2-en-1-yl 2-propylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.183109313 u |
| Formula |
C19H26O4 |
| InChI |
InChI=1S/C19H26O4/c1-4-8-16-9-5-6-10-17(16)23-19(21)12-7-11-18(20)22-14-13-15(2)3/h5-6,9-10,13H,4,7-8,11-12,14H2,1-3H3 |
| InChIKey |
VCUNESWXODGMRC-UHFFFAOYSA-N |
| Molecular Weight |
318.413 g/mol |
| SMILES |
C(CCC(OCC=C(C)C)=O)C(OC=1C(CCC)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811226 |
