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1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-2-(4-nitrophenyl)ethanone
SpectraBase Compound ID Hc3ilBCp7HO
InChI InChI=1S/C17H18F3N3O4/c18-17(19,20)16(25)13-4-2-1-3-5-14(13)21-22(16)15(24)10-11-6-8-12(9-7-11)23(26)27/h6-9,13,25H,1-5,10H2
InChIKey QYZFHWDKCCIZQU-UHFFFAOYSA-N
Mol Weight 385.34 g/mol
Molecular Formula C17H18F3N3O4
Exact Mass 385.124941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwZedvpRubU
Name 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-2-(4-nitrophenyl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18F3N3O4
InChI InChI=1S/C17H18F3N3O4/c18-17(19,20)16(25)13-4-2-1-3-5-14(13)21-22(16)15(24)10-11-6-8-12(9-7-11)23(26)27/h6-9,13,25H,1-5,10H2
InChIKey QYZFHWDKCCIZQU-UHFFFAOYSA-N
Molecular Weight 385.343 g/mol
SMILES OC1(N(N=C2CCCCCC12)C(Cc1ccc(N(=O)=O)cc1)=O)C(F)(F)F
SPLASH splash10-0udi-9610000000-0f229c51ef502cdf439e
Synonyms 2-(4-nitrophenyl)-1-[3-oxidanyl-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]ethanone
Wiley ID 1511473