| SpectraBase Spectrum ID |
CpLkhXgPPsJ |
| Name |
Glutaric acid, 3-methylbut-2-yl but-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.167459249 u |
| Formula |
C14H24O4 |
| InChI |
InChI=1S/C14H24O4/c1-5-6-10-17-13(15)8-7-9-14(16)18-12(4)11(2)3/h5-6,11-12H,7-10H2,1-4H3/b6-5+ |
| InChIKey |
WPQXYBLTDMOFEY-AATRIKPKSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
C(CCC(OC(C(C)C)C)=O)C(OC\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966013 |
