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4-Chloro-N,N-bis(2-chloroethyl)-5-[3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl]thiazol-2-amine
SpectraBase Compound ID DBx173PJ21i
InChI InChI=1S/C23H23Cl3N4OS/c1-31-18-9-7-16(8-10-18)19-15-20(30(28-19)17-5-3-2-4-6-17)21-22(26)27-23(32-21)29(13-11-24)14-12-25/h2-10,20H,11-15H2,1H3
InChIKey HCYMQDLPAMNOAV-UHFFFAOYSA-N
Mol Weight 509.88 g/mol
Molecular Formula C23H23Cl3N4OS
Exact Mass 508.065816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uGBO1AD45g
Name 4-Chloro-N,N-bis(2-chloroethyl)-5-[3-(4-methoxyphenyl)-1-phenyl-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 C23H23Cl3N4OS
InChI InChI=1S/C23H23Cl3N4OS/c1-31-18-9-7-16(8-10-18)19-15-20(30(28-19)17-5-3-2-4-6-17)21-22(26)27-23(32-21)29(13-11-24)14-12-25/h2-10,20H,11-15H2,1H3
InChIKey HCYMQDLPAMNOAV-UHFFFAOYSA-N
Instrument Name Shimadzu-GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ardp.201900351
Molecular Weight 509.883 g/mol
SMILES c1(sc(c(n1)Cl)C1CC(=NN1c1ccccc1)c1ccc(cc1)OC)N(CCCl)CCCl
SPLASH splash10-01ox-9000020000-9e611ab0d8b0208e66d0
Source of Spectrum APC-353-17-8e
Wiley ID 1839671