| SpectraBase Spectrum ID |
BLvl9FosKkI |
| Name |
Succinic acid, 2,3-dimethylphenyl isobutyl 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/c1-11(2)10-19-15(17)8-9-16(18)20-14-7-5-6-12(3)13(14)4/h5-7,11H,8-10H2,1-4H3 |
| InChIKey |
LRNXBYPGZPCXKY-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(CC(OC1=C(C(C)=CC=C1)C)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870954 |
