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(S)-4-exo-Phenylthio-1-(p-nitrophenyl)-1H,4H-furo[3,4-b]aziridin-2-one

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

(S)-4-exo-Phenylthio-1-(p-nitrophenyl)-1H,4H-furo[3,4-b]aziridin-2-one
SpectraBase Compound ID 8ehnep70uHI
InChI InChI=1S/C16H12N2O4S/c19-15-13-14(16(22-15)23-12-4-2-1-3-5-12)17(13)10-6-8-11(9-7-10)18(20)21/h1-9,13-14,16H/t13?,14?,16-,17?/m0/s1
InChIKey SDQMXICRIVRICJ-XRFBTWBJSA-N
Mol Weight 328.34 g/mol
Molecular Formula C16H12N2O4S
Exact Mass 328.051778 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D1rclMutbdj
Name (S)-4-exo-Phenylthio-1-(p-nitrophenyl)-1H,4H-furo[3,4-B]aziridin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.051778044 u
Formula C16H12N2O4S
InChI InChI=1S/C16H12N2O4S/c19-15-13-14(16(22-15)23-12-4-2-1-3-5-12)17(13)10-6-8-11(9-7-10)18(20)21/h1-9,13-14,16H/t13?,14?,16-,17?/m0/s1
InChIKey SDQMXICRIVRICJ-XRFBTWBJSA-N
Molecular Weight 328.342 g/mol
SMILES C12C([C@@](SC=3C=CC=CC3)([H])OC1=O)N2C=1C=CC(N(=O)=O)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847845