| SpectraBase Spectrum ID |
9xIBmMuqAIn |
| Name |
Succinic acid, 3-chlorophenyl 4-heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.128486917 u |
| Formula |
C17H23ClO4 |
| InChI |
InChI=1S/C17H23ClO4/c1-3-6-14(7-4-2)21-16(19)10-11-17(20)22-15-9-5-8-13(18)12-15/h5,8-9,12,14H,3-4,6-7,10-11H2,1-2H3 |
| InChIKey |
ZRXRSJFRZRHJCL-UHFFFAOYSA-N |
| Molecular Weight |
326.820 g/mol |
| SMILES |
C(CC(OC1=CC(=CC=C1)Cl)=O)C(OC(CCC)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813368 |
