| SpectraBase Spectrum ID |
K5GwUqEm98p |
| Name |
Succinic acid, 4-(chloromethyl)benzyl heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.159787045 u |
| Formula |
C19H27ClO4 |
| InChI |
InChI=1S/C19H27ClO4/c1-2-3-4-5-6-13-23-18(21)11-12-19(22)24-15-17-9-7-16(14-20)8-10-17/h7-10H,2-6,11-15H2,1H3 |
| InChIKey |
DOQQYIYGIXLIRK-UHFFFAOYSA-N |
| Molecular Weight |
354.874 g/mol |
| SMILES |
C(CCC(OCC=1C=CC(=CC1)CCl)=O)(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876895 |
