| SpectraBase Spectrum ID |
7kWTAm37MBd |
| Name |
Succinic acid, butyl 3-methylbenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-3-4-10-19-15(17)8-9-16(18)20-12-14-7-5-6-13(2)11-14/h5-7,11H,3-4,8-10,12H2,1-2H3 |
| InChIKey |
OIYVHXRJPIPRRC-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(OC(=O)CCC(OCCCC)=O)C=1C=CC=C(C)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871152 |
