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1,5-Dimethyl-6-(2-phenylethynyl)tricyclo[3.2.1.0(2,7)]octan-4-one
SpectraBase Compound ID G70IVuSyIVw
InChI InChI=1S/C18H18O/c1-17-11-18(2)14(10-15(17)19)16(18)13(17)9-8-12-6-4-3-5-7-12/h3-7,13-14,16H,10-11H2,1-2H3/t13-,14+,16-,17+,18+/m0/s1
InChIKey UDQQLGLPAYQDGT-KVDVXYDOSA-N
Mol Weight 250.34 g/mol
Molecular Formula C18H18O
Exact Mass 250.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBOijDlurkG
Name 1,5-Dimethyl-6-(2-phenylethynyl)tricyclo[3.2.1.0(2,7)]octan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O
InChI InChI=1S/C18H18O/c1-17-11-18(2)14(10-15(17)19)16(18)13(17)9-8-12-6-4-3-5-7-12/h3-7,13-14,16H,10-11H2,1-2H3/t13-,14+,16-,17+,18+/m0/s1
InChIKey UDQQLGLPAYQDGT-KVDVXYDOSA-N
Molecular Weight 250.341 g/mol
SMILES [C@]12([C@]3([C@](C#Cc4ccccc4)([C@@](C1)(C(=O)C[C@@]23[H])C)[H])[H])C
SPLASH splash10-0a6r-3930000000-2d9361efa87010406846
Source of Spectrum KC-0-180-15
Synonyms (-)-(1S,2S,5S,6S,7S)-1,5-Dimethyl-6-(2-phenylethynyl)tricyclo[3.2.1.0(2,7)]octan-4-one 1,5-Dimethyl-6-(phenylethynyl)tricyclo[3.2.1.0(2,7)]octan-4-one
Wiley ID 787122