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Piperazine, 1-(3-chlorophenyl)-4-[(3,4-diethoxyphenyl)carbonothioyl]-
SpectraBase Compound ID 2GKc56WRZgA
InChI InChI=1S/C21H25ClN2O2S/c1-3-25-19-9-8-16(14-20(19)26-4-2)21(27)24-12-10-23(11-13-24)18-7-5-6-17(22)15-18/h5-9,14-15H,3-4,10-13H2,1-2H3
InChIKey CLLAQFBJVKLCMP-UHFFFAOYSA-N
Mol Weight 404.96 g/mol
Molecular Formula C21H25ClN2O2S
Exact Mass 404.132527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPR9IcFmEJS
Name Piperazine, 1-(3-chlorophenyl)-4-[(3,4-diethoxyphenyl)carbonothioyl]-
Alternate Name(s) [4-(3-chlorophenyl)-1-piperazinyl]-(3,4-diethoxyphenyl)methanethione [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanethione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25ClN2O2S
InChI InChI=1S/C21H25ClN2O2S/c1-3-25-19-9-8-16(14-20(19)26-4-2)21(27)24-12-10-23(11-13-24)18-7-5-6-17(22)15-18/h5-9,14-15H,3-4,10-13H2,1-2H3
InChIKey CLLAQFBJVKLCMP-UHFFFAOYSA-N
Molecular Weight 404.956 g/mol
SMILES C(N1CCN(c2cc(Cl)ccc2)CC1)(c1cc(OCC)c(cc1)OCC)=S
SPLASH splash10-014i-0920100000-5aff60a818a1ba8ae82e
Source of Spectrum IY-1-4451-0
Wiley ID 1652493