SpectraBase Compound ID | 9k8dOgHLAsr |
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InChI | InChI=1S/C10H14S/c1-3-10(11-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3 |
InChIKey | HFFXYIAJXCLEPG-UHFFFAOYSA-N |
Mol Weight | 166.28 g/mol |
Molecular Formula | C10H14S |
Exact Mass | 166.081622 g/mol |
SpectraBase Spectrum ID | GV3JLvdCGp3 |
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Name | (1-(Methylthio)propyl)benzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 166.081621625 u |
Formula | C10H14S |
InChI | InChI=1S/C10H14S/c1-3-10(11-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3 |
InChIKey | HFFXYIAJXCLEPG-UHFFFAOYSA-N |
Molecular Weight | 166.282 g/mol |
SMILES | C1=CC(=CC=C1)C(SC)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900348 |