| SpectraBase Spectrum ID |
6JeSLS3BBxu |
| Name |
Succinic acid, butyl 2-methoxy-4-chlorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.107751471 u |
| Formula |
C16H21ClO5 |
| InChI |
InChI=1S/C16H21ClO5/c1-3-4-9-21-15(18)7-8-16(19)22-11-12-5-6-13(17)10-14(12)20-2/h5-6,10H,3-4,7-9,11H2,1-2H3 |
| InChIKey |
HBOJYWZUNIFTTN-UHFFFAOYSA-N |
| Molecular Weight |
328.792 g/mol |
| SMILES |
C1(=CC=C(C(=C1)OC)COC(=O)CCC(OCCCC)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826638 |
