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3-(1-Naphthyl)-3,4,5,6,7,8-hexahydro-2H-azulen-1-one
SpectraBase Compound ID 4LtSvYYWJqw
InChI InChI=1S/C20H20O/c21-20-13-19(17-10-2-1-3-11-18(17)20)16-12-6-8-14-7-4-5-9-15(14)16/h4-9,12,19H,1-3,10-11,13H2
InChIKey BEUNWEZXNNDKAN-UHFFFAOYSA-N
Mol Weight 276.38 g/mol
Molecular Formula C20H20O
Exact Mass 276.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lEoGsBx7Nc
Name 3-(1-Naphthyl)-3,4,5,6,7,8-hexahydro-2H-azulen-1-one
Alternate Name(s) 3-(naphthalen-1-yl)-3,4,5,6,7,8-hexahydroazulen-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O
InChI InChI=1S/C20H20O/c21-20-13-19(17-10-2-1-3-11-18(17)20)16-12-6-8-14-7-4-5-9-15(14)16/h4-9,12,19H,1-3,10-11,13H2
InChIKey BEUNWEZXNNDKAN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cctc.200900269
Molecular Weight 276.379 g/mol
SMILES C1CCCCC2=C1C(=O)CC2c1cccc2c1cccc2
SPLASH splash10-004i-1890000000-5d2f003d95f12b107eed
Source of Spectrum CCC-2-519/SM12-9a
Wiley ID 1786892