| SpectraBase Spectrum ID |
CN1ooUNiq5Q |
| Name |
Succinic acid, butyl 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/c1-3-4-11-19-15(17)9-10-16(18)20-12-14-7-5-13(2)6-8-14/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey |
LDLNRMJAGPFQKZ-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(CCC(OCC=1C=CC(=CC1)C)=O)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921131 |
