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2,3,6,7,8,9-Hexahydro-3-methyl-2-phenyl-1H-[1]-benz[e]indazol-1-one
SpectraBase Compound ID DgpD29rE3sA
InChI InChI=1S/C18H18N2O/c1-19-16-12-11-13-7-5-6-10-15(13)17(16)18(21)20(19)14-8-3-2-4-9-14/h2-4,8-9,11-12H,5-7,10H2,1H3
InChIKey WVDXVDFWLNHDMA-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C18H18N2O
Exact Mass 278.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7JR7IzErdY
Name 2,3,6,7,8,9-Hexahydro-3-methyl-2-phenyl-1H-[1]-benz[e]indazol-1-one
Alternate Name(s) 3-methyl-2-phenyl-2,3,6,7,8,9-hexahydro-1H-benzo[e]indazol-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O
InChI InChI=1S/C18H18N2O/c1-19-16-12-11-13-7-5-6-10-15(13)17(16)18(21)20(19)14-8-3-2-4-9-14/h2-4,8-9,11-12H,5-7,10H2,1H3
InChIKey WVDXVDFWLNHDMA-UHFFFAOYSA-N
Molecular Weight 278.355 g/mol
SMILES c12C(N(c3ccccc3)N(c1ccc1c2CCCC1)C)=O
SPLASH splash10-004i-0090000000-7810a8c6a1c08e396222
Source of Spectrum F-51-10950-15
Wiley ID 793616