SpectraBase Spectrum ID |
GpJaCDQyA6 |
Name |
Succinic acid, butyl 4-chlorophenethyl 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/c1-2-3-11-20-15(18)8-9-16(19)21-12-10-13-4-6-14(17)7-5-13/h4-7H,2-3,8-12H2,1H3 |
InChIKey |
APIUTBMUMINSTB-UHFFFAOYSA-N |
Molecular Weight |
312.793 g/mol |
SMILES |
C(CCC(OCCC1=CC=C(C=C1)Cl)=O)(OCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830547 |