| SpectraBase Spectrum ID |
CL9onZrObAf |
| Name |
Succinic acid, 3-chlorophenyl 2-ethylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.112836852 u |
| Formula |
C16H21ClO4 |
| InChI |
InChI=1S/C16H21ClO4/c1-3-12(4-2)11-20-15(18)8-9-16(19)21-14-7-5-6-13(17)10-14/h5-7,10,12H,3-4,8-9,11H2,1-2H3 |
| InChIKey |
BRYFLTVEWQHWOY-UHFFFAOYSA-N |
| Molecular Weight |
312.793 g/mol |
| SMILES |
C(CC(OC1=CC(=CC=C1)Cl)=O)C(OCC(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807938 |
