| SpectraBase Spectrum ID |
5JLLxoOKtxI |
| Name |
(-)-(R)-1-chloroethyl p-toyl sulfoxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.021913847 u |
| Formula |
C9H11ClOS |
| InChI |
InChI=1S/C9H11ClOS/c1-7-3-5-9(6-4-7)12(11)8(2)10/h3-6,8H,1-2H3/t8-,12?/m0/s1 |
| InChIKey |
ZUDCLQHVGAURJG-KBPLZSHQSA-N |
| Molecular Weight |
202.699 g/mol |
| SMILES |
C1(S([C@](Cl)(C)[H])=O)=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85335 |
