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1-(3-Nitrobenzothioyl)pyrrolidine
SpectraBase Compound ID 56Xq00tD8DV
InChI InChI=1S/C11H12N2O2S/c14-13(15)10-5-3-4-9(8-10)11(16)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChIKey VVIAEZJEBZIPIK-UHFFFAOYSA-N
Mol Weight 236.29 g/mol
Molecular Formula C11H12N2O2S
Exact Mass 236.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TJrO4hDswF
Name 1-(3-Nitrobenzothioyl)pyrrolidine
CAS Registry Number 87866-32-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2O2S
InChI InChI=1S/C11H12N2O2S/c14-13(15)10-5-3-4-9(8-10)11(16)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChIKey VVIAEZJEBZIPIK-UHFFFAOYSA-N
Molecular Weight 236.289 g/mol
SMILES c1cc(cc(c1)N(=O)=O)C(N1CCCC1)=S
SPLASH splash10-00g0-3950000000-073a49be90e4e2892421
Source of Spectrum O-18-163-1
Synonyms (3-nitrophenyl)-(1-pyrrolidinyl)methanethione (3-nitrophenyl)-pyrrolidin-1-yl-methanethione (3-nitrophenyl)-pyrrolidino-methanethione N-(3-Nitro-thiobenzoyl)-pyrrolidine
Wiley ID 1237730