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2-(S-Propylthiomethyl)-1-bromobenzene
SpectraBase Compound ID AdGowcYj4fc
InChI InChI=1S/C10H13BrS/c1-2-7-12-8-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3
InChIKey OLCUZCFMPXOVMU-UHFFFAOYSA-N
Mol Weight 245.18 g/mol
Molecular Formula C10H13BrS
Exact Mass 243.992135 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LgBzY6DJF0Z
Name 2-(S-Propylthiomethyl)-1-bromobenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.992134593 u
Formula C10H13BrS
InChI InChI=1S/C10H13BrS/c1-2-7-12-8-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3
InChIKey OLCUZCFMPXOVMU-UHFFFAOYSA-N
Molecular Weight 245.178 g/mol
SMILES C(SCC1=C(C=CC=C1)Br)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883691