| SpectraBase Spectrum ID |
GWq7O51OXfM |
| Name |
2-Benzyl-2-chloro-malonic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.050236595 u |
| Formula |
C12H13ClO4 |
| InChI |
InChI=1S/C12H13ClO4/c1-16-10(14)12(13,11(15)17-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
| InChIKey |
SPQWYSQMMJDLGH-UHFFFAOYSA-N |
| Molecular Weight |
256.685 g/mol |
| SMILES |
C(C(=O)OC)(C(=O)OC)(CC=1C=CC=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950189 |
