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N-(3-Nitrothiobenzoyl)-piperidin

View entire compound with spectra: 3 NMR, and 1 FTIR

N-(3-Nitrothiobenzoyl)-piperidin
SpectraBase Compound ID LQlOAdVTuiW
InChI InChI=1S/C12H14N2O2S/c15-14(16)11-6-4-5-10(9-11)12(17)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2
InChIKey HJPBZJUHGLQOIN-UHFFFAOYSA-N
Mol Weight 250.32 g/mol
Molecular Formula C12H14N2O2S
Exact Mass 250.077599 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3o2CwN6lHRd
Name N-(3-Nitrothiobenzoyl)-piperidin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.077598871 u
Formula C12H14N2O2S
InChI InChI=1S/C12H14N2O2S/c15-14(16)11-6-4-5-10(9-11)12(17)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2
InChIKey HJPBZJUHGLQOIN-UHFFFAOYSA-N
Molecular Weight 250.316 g/mol
SMILES C1(N(=O)=O)=CC(=CC=C1)C(=S)N1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862199