| SpectraBase Spectrum ID |
LtvLb4JgCmA |
| Name |
Succinic acid, 3-chlorobenzyl pentyl 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/c1-2-3-4-10-20-15(18)8-9-16(19)21-12-13-6-5-7-14(17)11-13/h5-7,11H,2-4,8-10,12H2,1H3 |
| InChIKey |
BGUWXZDWELAKBE-UHFFFAOYSA-N |
| Molecular Weight |
312.793 g/mol |
| SMILES |
C(CCC(OCC1=CC(=CC=C1)Cl)=O)(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802953 |
