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(E)-3-Chloro-1-methyl-4-(2S,6R)-(6-styryltetrahydro-2H-pyran-2-yl)-1H-pyrazole
SpectraBase Compound ID DtvNNIb4MXX
InChI InChI=1S/C17H19ClN2O/c1-20-12-15(17(18)19-20)16-9-5-8-14(21-16)11-10-13-6-3-2-4-7-13/h2-4,6-7,10-12,14,16H,5,8-9H2,1H3/b11-10+/t14-,16+/m1/s1
InChIKey QLTBPQZZVYJBJC-AGEWCLKBSA-N
Mol Weight 302.81 g/mol
Molecular Formula C17H19ClN2O
Exact Mass 302.118591 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcwPhjbJZZg
Name (E)-3-Chloro-1-methyl-4-(2S,6R)-(6-styryltetrahydro-2H-pyran-2-yl)-1H-pyrazole
Alternate Name(s) 3-Chloro-1-methyl-4-((2S,6R)-6-((E)-styryl)tetrahydro-2H-pyran-2-yl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClN2O
InChI InChI=1S/C17H19ClN2O/c1-20-12-15(17(18)19-20)16-9-5-8-14(21-16)11-10-13-6-3-2-4-7-13/h2-4,6-7,10-12,14,16H,5,8-9H2,1H3/b11-10+/t14-,16+/m1/s1
InChIKey QLTBPQZZVYJBJC-AGEWCLKBSA-N
Literature Reference DOI 10.1021/acs.joc.5b02371
Molecular Weight 302.805 g/mol
SMILES [C@@]1(CCC[C@@](O1)(\C=C\c1ccccc1)[H])(c1c[n](nc1Cl)C)[H]
SPLASH splash10-0006-1900000000-adc11285dbc0d8558ec2
Source of Spectrum J-80-12522-18g
Wiley ID 1801824