SpectraBase Compound ID | Jcyoc6sojU9 |
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InChI | InChI=1S/C8H9NS/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10) |
InChIKey | CJXBHFANXQMZBF-UHFFFAOYSA-N |
Mol Weight | 151.23 g/mol |
Molecular Formula | C8H9NS |
Exact Mass | 151.04557 g/mol |
SpectraBase Spectrum ID | C6IMdrvnCsW |
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Name | 2-Phenylthioacetamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 151.045570468 u |
Formula | C8H9NS |
InChI | InChI=1S/C8H9NS/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10) |
InChIKey | CJXBHFANXQMZBF-UHFFFAOYSA-N |
SMILES | NC(CC1=CC=CC=C1)=S |
Spectrum/Structure Validation Score (Raman) | 0.970087 |