| SpectraBase Spectrum ID |
3EB8rK8QuNv |
| Name |
Succinic acid, isobutyl trans-hex-3-enyl 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/c1-4-5-6-7-10-17-13(15)8-9-14(16)18-11-12(2)3/h5-6,12H,4,7-11H2,1-3H3/b6-5+ |
| InChIKey |
ZXVWBINETFYSQE-AATRIKPKSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
C(OCC\C=C\CC)(CCC(OCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970981 |
