| SpectraBase Spectrum ID |
1DCtFggwoNT |
| Name |
Succinic acid, phenyl 6-chlorohexyl 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/c17-12-6-1-2-7-13-20-15(18)10-11-16(19)21-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2 |
| InChIKey |
SHAHIVFCWMQQOK-UHFFFAOYSA-N |
| Molecular Weight |
312.793 g/mol |
| SMILES |
C(Cl)CCCCCOC(CCC(OC1=CC=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855479 |
