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2-(4-Nitrobenzoyl)methylenethiazolidine

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

2-(4-Nitrobenzoyl)methylenethiazolidine
SpectraBase Compound ID 9MAOdfsM48i
InChI InChI=1S/C11H10N2O3S/c14-10(7-11-12-5-6-17-11)8-1-3-9(4-2-8)13(15)16/h1-4,7,12H,5-6H2/b11-7-
InChIKey DGXMGTPNZHAGGG-XFFZJAGNSA-N
Mol Weight 250.27 g/mol
Molecular Formula C11H10N2O3S
Exact Mass 250.041213 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F64W9LQq3WE
Name 2-(4-Nitrobenzoyl)methylenethiazolidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.041213361 u
Formula C11H10N2O3S
InChI InChI=1S/C11H10N2O3S/c14-10(7-11-12-5-6-17-11)8-1-3-9(4-2-8)13(15)16/h1-4,7,12H,5-6H2/b11-7-
InChIKey DGXMGTPNZHAGGG-XFFZJAGNSA-N
Molecular Weight 250.272 g/mol
SMILES C=1(N(=O)=O)C=CC(C(\C=C\2NCCS2)=O)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808114