| SpectraBase Spectrum ID |
GuprFaGRmZS |
| Name |
Succinic acid, 2-methylphenyl 2-methylbutyl 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/c1-4-12(2)11-19-15(17)9-10-16(18)20-14-8-6-5-7-13(14)3/h5-8,12H,4,9-11H2,1-3H3 |
| InChIKey |
CEKMOXXMBBOHGA-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
CCC(C)COC(CCC(OC1=CC=CC=C1C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877923 |
