| SpectraBase Spectrum ID |
KjVDs39Twq3 |
| Name |
Succinic acid, butyl 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/c1-3-5-7-8-12-18-14(16)10-9-13(15)17-11-6-4-2/h5,7H,3-4,6,8-12H2,1-2H3/b7-5+ |
| InChIKey |
BACRMKHOXIKURQ-FNORWQNLSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
C(OCC\C=C\CC)(CCC(OCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982485 |
