For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester
SpectraBase Compound ID 6T8ptX9hqg6
InChI InChI=1S/C14H16FN3O3S/c1-21-12(19)8-11-13(20)16-6-7-18(11)14(22)17-10-4-2-9(15)3-5-10/h2-5,11H,6-8H2,1H3,(H,16,20)(H,17,22)
InChIKey PRMCSCZPRQSPGJ-UHFFFAOYSA-N
Mol Weight 325.36 g/mol
Molecular Formula C14H16FN3O3S
Exact Mass 325.089641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B0YaHbGRReS
Name 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester
Alternate Name(s) 2-[1-[(4-fluoroanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester 2-[1-[(4-fluorophenyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Methyl 2-[1-[(4-fluorophenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Methyl 2-[1-[(4-fluorophenyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16FN3O3S
InChI InChI=1S/C14H16FN3O3S/c1-21-12(19)8-11-13(20)16-6-7-18(11)14(22)17-10-4-2-9(15)3-5-10/h2-5,11H,6-8H2,1H3,(H,16,20)(H,17,22)
InChIKey PRMCSCZPRQSPGJ-UHFFFAOYSA-N
Molecular Weight 325.358 g/mol
SMILES N1C(C(N(C(Nc2ccc(F)cc2)=S)CC1)CC(=O)OC)=O
SPLASH splash10-0udj-9800000000-e59dcc5f1762eab4007a
Wiley ID 1449578