| SpectraBase Spectrum ID |
4KAwt7hkneq |
| Name |
Glutaric acid, hept-2-yl 3-methylbut-3-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.214409442 u |
| Formula |
C17H30O4 |
| InChI |
InChI=1S/C17H30O4/c1-5-6-7-9-15(4)21-17(19)11-8-10-16(18)20-13-12-14(2)3/h15H,2,5-13H2,1,3-4H3 |
| InChIKey |
ANURNYWQLSUVTE-UHFFFAOYSA-N |
| SMILES |
C(CCC(OC(C)CCCCC)=O)C(OCCC(C)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872201 |
