SpectraBase Spectrum ID |
A3LzPuC15Ws |
Name |
(3-Chloranyl-2-methoxy-propyl)sulfanylmethylbenzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.053213976 u |
Formula |
C11H15ClOS |
InChI |
InChI=1S/C11H15ClOS/c1-13-11(7-12)9-14-8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3 |
InChIKey |
HNSHDCPZWGSPMP-UHFFFAOYSA-N |
Molecular Weight |
230.753 g/mol |
SMILES |
C(SCC=1C=CC=CC1)C(OC)CCl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805284 |