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5-(Benzo[d][1,3]dioxol-5-yl)-1-(3-chlorophenyl)-4,5-dihydro-3-(thiophen-2-yl)-1H-pyrazole
SpectraBase Compound ID 5f99MsJqsQW
InChI InChI=1S/C20H15ClN2O2S/c21-14-3-1-4-15(10-14)23-17(11-16(22-23)20-5-2-8-26-20)13-6-7-18-19(9-13)25-12-24-18/h1-10,17H,11-12H2
InChIKey MDYAGVRLPGKNPE-UHFFFAOYSA-N
Mol Weight 382.87 g/mol
Molecular Formula C20H15ClN2O2S
Exact Mass 382.054277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWjN5KXj79T
Name 5-(Benzo[d][1,3]dioxol-5-yl)-1-(3-chlorophenyl)-4,5-dihydro-3-(thiophen-2-yl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClN2O2S
InChI InChI=1S/C20H15ClN2O2S/c21-14-3-1-4-15(10-14)23-17(11-16(22-23)20-5-2-8-26-20)13-6-7-18-19(9-13)25-12-24-18/h1-10,17H,11-12H2
InChIKey MDYAGVRLPGKNPE-UHFFFAOYSA-N
Molecular Weight 382.865 g/mol
SMILES C1(=NN(C(C1)c1cc2OCOc2cc1)c1cc(Cl)ccc1)c1sccc1
SPLASH splash10-03ec-5539000000-0239d74b7ff184e03243
Source of Spectrum Y-51-455-2b
Synonyms 5-(benzo[d][1,3]dioxol-5-yl)-1-(3-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
Wiley ID 1741279