| SpectraBase Spectrum ID |
aveSlt3tGU |
| Name |
Diethylmalonic acid, monochloride, 2-methylthiophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.058693278 u |
| Formula |
C14H17ClO3S |
| InChI |
InChI=1S/C14H17ClO3S/c1-4-14(5-2,12(15)16)13(17)18-10-8-6-7-9-11(10)19-3/h6-9H,4-5H2,1-3H3 |
| InChIKey |
QOYLFIHGOKUTSU-UHFFFAOYSA-N |
| SMILES |
CCC(C(Cl)=O)(C(OC1=CC=CC=C1SC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869632 |
