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3-Phenylhexahydrothiazolo[3,2-a]pyridin-5-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Phenylhexahydrothiazolo[3,2-a]pyridin-5-one
SpectraBase Compound ID AxeFY16T7jh
InChI InChI=1S/C13H15NOS/c15-12-8-11(10-4-2-1-3-5-10)9-13-14(12)6-7-16-13/h1-5,11,13H,6-9H2/t11-,13-/m1/s1
InChIKey VZXYFTFYFQCQFF-DGCLKSJQSA-N
Mol Weight 233.33 g/mol
Molecular Formula C13H15NOS
Exact Mass 233.087435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2D3tagR8tuV
Name 3-Phenylhexahydrothiazolo[3,2-A]pyridin-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.087435280 u
Formula C13H15NOS
InChI InChI=1S/C13H15NOS/c15-12-8-11(10-4-2-1-3-5-10)9-13-14(12)6-7-16-13/h1-5,11,13H,6-9H2/t11-,13-/m1/s1
InChIKey VZXYFTFYFQCQFF-DGCLKSJQSA-N
Molecular Weight 233.329 g/mol
SMILES C1(N2[C@@](C[C@@](C1)(C1=CC=CC=C1)[H])(SCC2)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971737