| SpectraBase Spectrum ID |
6sTiKLkkftO |
| Name |
Succinic acid, isobutyl 4-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/c1-12(2)10-19-15(17)8-9-16(18)20-11-14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3 |
| InChIKey |
ZOIUHOGVVZJCFO-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(CCC(OCC=1C=CC(=CC1)C)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968475 |
