| SpectraBase Spectrum ID |
DePJrxt2y4 |
| Name |
Succinic acid, 3-methylbut-2-enyl 2-pentyl 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/c1-5-6-12(4)18-14(16)8-7-13(15)17-10-9-11(2)3/h9,12H,5-8,10H2,1-4H3 |
| InChIKey |
SPJNJCATSRXOKZ-UHFFFAOYSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
CC(C)=CCOC(=O)CCC(OC(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802251 |
