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2-Acetyl-3-methyl-5-(p-methylphenyl)-benzocyclohepten-1-one
SpectraBase Compound ID I0OytK3detJ
InChI InChI=1S/C21H18O2/c1-13-8-10-16(11-9-13)19-12-14(2)20(15(3)22)21(23)18-7-5-4-6-17(18)19/h4-12H,1-3H3
InChIKey DBEIJXCXBNHDNB-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C21H18O2
Exact Mass 302.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61Mjm0sdPoE
Name 2-Acetyl-3-methyl-5-(p-methylphenyl)-benzocyclohepten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O2
InChI InChI=1S/C21H18O2/c1-13-8-10-16(11-9-13)19-12-14(2)20(15(3)22)21(23)18-7-5-4-6-17(18)19/h4-12H,1-3H3
InChIKey DBEIJXCXBNHDNB-UHFFFAOYSA-N
Molecular Weight 302.373 g/mol
SMILES C=1(C(c2c(cccc2)C(=CC1C)c1ccc(cc1)C)=O)C(=O)C
SPLASH splash10-053r-0090000000-afd7137b8c8022971a83
Source of Spectrum U1-2002-1700-14
Synonyms 2-Acetyl-3-methyl-5-(4-methylphenyl)-1H-benzo[a]cyclohepten-1-one 2-Acetyl-3-methyl-5-(4-methylphenyl)benzocycloheptan-1-one 6-Acetyl-7-methyl-9-p-tolyl-benzocyclohepten-5-one 6-Acetyl-7-methyl-9-(4-methylphenyl)-5-benzo[7]annulenone 6-Acetyl-7-methyl-9-(4-methylphenyl)benzo[7]annulen-5-one 6-Acetyl-7-methyl-9-(p-tolyl)benzo[7]annulen-5-one 6-Ethanoyl-7-methyl-9-(4-methylphenyl)benzo[7]annulen-5-one
Wiley ID 1522467