| SpectraBase Spectrum ID |
Dpsj7Hb7F9C |
| Name |
Glutaric acid, 3-methylbut-2-yl 2-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.214409442 u |
| Formula |
C16H30O4 |
| InChI |
InChI=1S/C16H30O4/c1-6-8-13(4)11-19-15(17)9-7-10-16(18)20-14(5)12(2)3/h12-14H,6-11H2,1-5H3 |
| InChIKey |
BXNBNZPCFWBELA-UHFFFAOYSA-N |
| SMILES |
C(CCC(OC(C(C)C)C)=O)C(OCC(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932305 |
