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6-Phenylthiomorpholin-3-one, N-acetyl

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6-Phenylthiomorpholin-3-one, N-acetyl
SpectraBase Compound ID 5z0Lm8c9Ksn
InChI InChI=1S/C12H13NO2S/c1-9(14)13-7-11(16-8-12(13)15)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKey OCFFOROJPGHTSB-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HX30v2nIxhh
Name 6-Phenylthiomorpholin-3-one, N-acetyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.066699835 u
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-9(14)13-7-11(16-8-12(13)15)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKey OCFFOROJPGHTSB-UHFFFAOYSA-N
Molecular Weight 235.301 g/mol
SMILES C1(N(CC(SC1)C1=CC=CC=C1)C(=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909462