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4-Chloro-N,N-bis(2-chloroethyl)-5-(1,3-diphenyl-4,5-dihydro-1H-pyrazol-5-yl)thiazol-2-amine
SpectraBase Compound ID C0P2ppZHE3I
InChI InChI=1S/C22H21Cl3N4S/c23-11-13-28(14-12-24)22-26-21(25)20(30-22)19-15-18(16-7-3-1-4-8-16)27-29(19)17-9-5-2-6-10-17/h1-10,19H,11-15H2
InChIKey IETWFMGLGRYTRG-UHFFFAOYSA-N
Mol Weight 479.86 g/mol
Molecular Formula C22H21Cl3N4S
Exact Mass 478.055251 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZsogePWmZW
Name 4-Chloro-N,N-bis(2-chloroethyl)-5-(1,3-diphenyl-4,5-dihydro-1H-pyrazol-5-yl)thiazol-2-amine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21Cl3N4S
InChI InChI=1S/C22H21Cl3N4S/c23-11-13-28(14-12-24)22-26-21(25)20(30-22)19-15-18(16-7-3-1-4-8-16)27-29(19)17-9-5-2-6-10-17/h1-10,19H,11-15H2
InChIKey IETWFMGLGRYTRG-UHFFFAOYSA-N
Instrument Name Shimadzu-GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ardp.201900351
Molecular Weight 479.857 g/mol
SMILES c1(sc(c(n1)Cl)C1CC(=NN1c1ccccc1)c1ccccc1)N(CCCl)CCCl
SPLASH splash10-00kf-9000200000-8ec6f5f5323f42f8ecb5
Source of Spectrum APC-353-18-8g
Wiley ID 1839673