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1-Pyrazolidinecarboxylic acid, 2-[N-(4-bromophenyl)thiocarbamoyl]-, ethyl ester
SpectraBase Compound ID BIVdmniEHBd
InChI InChI=1S/C13H16BrN3O2S/c1-2-19-13(18)17-9-3-8-16(17)12(20)15-11-6-4-10(14)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,15,20)
InChIKey WPJVFEOVTHAIEL-UHFFFAOYSA-N
Mol Weight 358.25 g/mol
Molecular Formula C13H16BrN3O2S
Exact Mass 357.014661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tUAEA1BNF5
Name 1-Pyrazolidinecarboxylic acid, 2-[N-(4-bromophenyl)thiocarbamoyl]-, ethyl ester
CAS Registry Number 139325-48-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16BrN3O2S
InChI InChI=1S/C13H16BrN3O2S/c1-2-19-13(18)17-9-3-8-16(17)12(20)15-11-6-4-10(14)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,15,20)
InChIKey WPJVFEOVTHAIEL-UHFFFAOYSA-N
Molecular Weight 358.254 g/mol
SMILES N(c1ccc(cc1)Br)C(N1N(CCC1)C(=O)OCC)=S
SPLASH splash10-02nc-9451000000-8067ad7eaf57419b7133
Source of Spectrum Y-30-1642-6
Synonyms 2-[(4-bromoanilino)-sulfanylidenemethyl]-1-pyrazolidinecarboxylic acid ethyl ester 2-[(4-bromophenyl)thiocarbamoyl]pyrazolidine-1-carboxylic acid ethyl ester Ethyl 2-[(4-bromoanilino)carbothioyl]-1-pyrazolidinecarboxylate Ethyl 2-[(4-bromophenyl)carbamothioyl]pyrazolidine-1-carboxylate
Wiley ID 761287