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(1S,5S)-1,5-dimethyl-6-(4-methylphenyl)-4-bicyclo[3.2.1]octa-2,6-dienone
SpectraBase Compound ID 9E4X78xcAYb
InChI InChI=1S/C17H18O/c1-12-4-6-13(7-5-12)14-10-16(2)9-8-15(18)17(14,3)11-16/h4-10H,11H2,1-3H3/t16-,17-/m0/s1
InChIKey VMULHAONNUGXDC-IRXDYDNUSA-N
Mol Weight 238.33 g/mol
Molecular Formula C17H18O
Exact Mass 238.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILN5oBFm9eg
Name (1S,5S)-1,5-dimethyl-6-(4-methylphenyl)-4-bicyclo[3.2.1]octa-2,6-dienone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O
InChI InChI=1S/C17H18O/c1-12-4-6-13(7-5-12)14-10-16(2)9-8-15(18)17(14,3)11-16/h4-10H,11H2,1-3H3/t16-,17-/m0/s1
InChIKey VMULHAONNUGXDC-IRXDYDNUSA-N
Molecular Weight 238.330 g/mol
SMILES [C@@]12(C(=C[C@@](C2)(C=CC1=O)C)c1ccc(cc1)C)C
SPLASH splash10-0gb9-1900000000-a52b05e28639c2d39f61
Source of Spectrum KC-0-179-11
Synonyms (1S,5S)-1,5-dimethyl-6-(4-methylphenyl)bicyclo[3.2.1]octa-2,6-dien-4-one (1S,5S)-1,5-dimethyl-6-(p-tolyl)bicyclo[3.2.1]octa-2,6-dien-4-one
Wiley ID 787130