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1,3-Oxathiolane, 2-methyl-2-(4-nitrophenyl)-

View entire compound with spectra: 1 FTIR

1,3-Oxathiolane, 2-methyl-2-(4-nitrophenyl)-
SpectraBase Compound ID 2sxtLQUNzeX
InChI InChI=1S/C10H11NO3S/c1-10(14-6-7-15-10)8-2-4-9(5-3-8)11(12)13/h2-5H,6-7H2,1H3
InChIKey QCNSNZXHZIMLEO-UHFFFAOYSA-N
Mol Weight 225.26 g/mol
Molecular Formula C10H11NO3S
Exact Mass 225.045964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5objMz8X2lz
Name 1,3-Oxathiolane, 2-methyl-2-(4-nitrophenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.045964389 u
Formula C10H11NO3S
InChI InChI=1S/C10H11NO3S/c1-10(14-6-7-15-10)8-2-4-9(5-3-8)11(12)13/h2-5H,6-7H2,1H3
InChIKey QCNSNZXHZIMLEO-UHFFFAOYSA-N
Molecular Weight 225.262 g/mol
SMILES C1(SCCO1)(C1=CC=C(C=C1)N(=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898628