| SpectraBase Spectrum ID |
IraxkarolMd |
| Name |
Glutaric acid, but-3-en-2-yl 3-methylbut-2-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/c1-6-11(4)17-13(15)8-7-9-14(16)18-12(5)10(2)3/h6,10-12H,1,7-9H2,2-5H3 |
| InChIKey |
BXEPMNXRQIVLRR-UHFFFAOYSA-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) |
0.844619 |
