| SpectraBase Spectrum ID |
34DR7TTdQC5 |
| Name |
Glutaric acid, 2-methylpent-3-yl 2-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.230059506 u |
| Formula |
C17H32O4 |
| InChI |
InChI=1S/C17H32O4/c1-6-9-14(5)12-20-16(18)10-8-11-17(19)21-15(7-2)13(3)4/h13-15H,6-12H2,1-5H3 |
| InChIKey |
LONAHNDRYFTIQS-UHFFFAOYSA-N |
| SMILES |
C(CCC(OC(C(C)C)CC)=O)C(OCC(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916486 |
