| SpectraBase Spectrum ID |
KQ66z4LwyiZ |
| Name |
Succinic acid, 2-methoxy-4-chlorobenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.092101407 u |
| Formula |
C15H19ClO5 |
| InChI |
InChI=1S/C15H19ClO5/c1-3-8-20-14(17)6-7-15(18)21-10-11-4-5-12(16)9-13(11)19-2/h4-5,9H,3,6-8,10H2,1-2H3 |
| InChIKey |
NDEVHFGHDIITBN-UHFFFAOYSA-N |
| Molecular Weight |
314.765 g/mol |
| SMILES |
C1(=CC=C(C(=C1)OC)COC(=O)CCC(OCCC)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93386 |
