| SpectraBase Spectrum ID |
W9SIqiJXUe |
| Name |
Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2-methylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.230059506 u |
| Formula |
C19H32O4 |
| InChI |
InChI=1S/C19H32O4/c1-5-17(14(2)3)23-19(21)12-8-11-18(20)22-13-16-10-7-6-9-15(16)4/h14,17H,5-13H2,1-4H3 |
| InChIKey |
DTOFYLQVDMAUSC-UHFFFAOYSA-N |
| Molecular Weight |
324.461 g/mol |
| SMILES |
C(CCC(OC(CC)C(C)C)=O)C(OCC1=C(C)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961486 |
