SpectraBase Compound ID | Bt3hLYPraLo |
---|---|
InChI | InChI=1S/C10H11NOS/c1-11-7-9(12-10(11)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3 |
InChIKey | AIYDWCFBDSHKBW-UHFFFAOYSA-N |
Mol Weight | 193.26 g/mol |
Molecular Formula | C10H11NOS |
Exact Mass | 193.056135 g/mol |
SpectraBase Spectrum ID | AYh8ESzElW |
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Name | 3-Methyl-5-phenyloxazolidine-2-thione |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 193.056135151 u |
Formula | C10H11NOS |
InChI | InChI=1S/C10H11NOS/c1-11-7-9(12-10(11)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3 |
InChIKey | AIYDWCFBDSHKBW-UHFFFAOYSA-N |
Molecular Weight | 193.264 g/mol |
SMILES | C1(N(CC(O1)C1=CC=CC=C1)C)=S |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811826 |