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Pyrazole-4-carbonyl chloride, 3-(1-adamantyl)-1-phenyl-
SpectraBase Compound ID LdVdUJinM5y
InChI InChI=1S/C20H21ClN2O/c21-19(24)17-12-23(16-4-2-1-3-5-16)22-18(17)20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,12-15H,6-11H2/t13-,14+,15-,20-
InChIKey INEDDSUCCYEMAJ-PVGDPBLGSA-N
Mol Weight 340.85 g/mol
Molecular Formula C20H21ClN2O
Exact Mass 340.134241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cm5lCXmEvS1
Name Pyrazole-4-carbonyl chloride, 3-(1-adamantyl)-1-phenyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21ClN2O
InChI InChI=1S/C20H21ClN2O/c21-19(24)17-12-23(16-4-2-1-3-5-16)22-18(17)20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,12-15H,6-11H2/t13-,14+,15-,20-
InChIKey INEDDSUCCYEMAJ-PVGDPBLGSA-N
Molecular Weight 340.854 g/mol
SMILES C1[C@]2(C[C@]3(C[C@@]1(CC(C2)(C3)c1n[n](cc1C(Cl)=O)-c1ccccc1)[H])[H])[H]
SPLASH splash10-0a4i-4329000000-7cad5a5da1fb8d9bca62
Source of Spectrum AD-0-2532-0
Synonyms 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carbonyl chloride 3-(1-adamantyl)-1-phenyl-4-pyrazolecarbonyl chloride 3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl chloride
Wiley ID 1432422