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Piperidine, 1-[(2-nitrophenyl)thioxomethyl]-
SpectraBase Compound ID JGqrQyhyiLl
InChI InChI=1S/C12H14N2O2S/c15-14(16)11-7-3-2-6-10(11)12(17)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2
InChIKey IBUKJRGSNDXBKR-UHFFFAOYSA-N
Mol Weight 250.32 g/mol
Molecular Formula C12H14N2O2S
Exact Mass 250.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RE6ZRax2xx
Name Piperidine, 1-[(2-nitrophenyl)thioxomethyl]-
Alternate Name(s) 1-((2-Nitrophenyl)thioxomethyl)piperidine 1-((3-Nitrophenyl)thioxomethyl)piperidine 1-(2-Nitrobenzothioyl)piperidine N-(2-nitro-thiobenzoyl)piperidine
CAS Registry Number 87866-31-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O2S
InChI InChI=1S/C12H14N2O2S/c15-14(16)11-7-3-2-6-10(11)12(17)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2
InChIKey IBUKJRGSNDXBKR-UHFFFAOYSA-N
Molecular Weight 250.316 g/mol
SMILES c1(C(N2CCCCC2)=S)c(N(=O)=O)cccc1
SPLASH splash10-0fdk-2970000000-cb7dea7137eff4ba4be8
Source of Spectrum O-18-163-1
Wiley ID 1252938