| SpectraBase Spectrum ID |
AkNS0aqBCnI |
| Name |
Succinic acid, 3-chlorobenzyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.097186788 u |
| Formula |
C15H19ClO4 |
| InChI |
InChI=1S/C15H19ClO4/c1-11(2)9-19-14(17)6-7-15(18)20-10-12-4-3-5-13(16)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3 |
| InChIKey |
NTXZMKLDPLZRSY-UHFFFAOYSA-N |
| SMILES |
C(CCC(OCC1=CC(=CC=C1)Cl)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812819 |
