SpectraBase Compound ID | Hw86AzApQ68 |
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InChI | InChI=1S/C10H13NOS/c1-9(12)11-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12) |
InChIKey | RSOVUTMFSIKQHH-UHFFFAOYSA-N |
Mol Weight | 195.28 g/mol |
Molecular Formula | C10H13NOS |
Exact Mass | 195.071785 g/mol |
SpectraBase Spectrum ID | 1WgBPtOXPYV |
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Name | Acetamide, N-[2-(phenylthio)ethyl]- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 195.071785216 u |
Formula | C10H13NOS |
InChI | InChI=1S/C10H13NOS/c1-9(12)11-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12) |
InChIKey | RSOVUTMFSIKQHH-UHFFFAOYSA-N |
Molecular Weight | 195.280 g/mol |
SMILES | C(=O)(NCCSC=1C=CC=CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974146 |