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1-((1R,8S,E)-10,10-Dimethyl-7-methylenebicyclo[6.2.0]dec-4-en-4-yl)ethanone
SpectraBase Compound ID 1yL7JN6cTqP
InChI InChI=1S/C15H22O/c1-10-5-6-12(11(2)16)7-8-14-13(10)9-15(14,3)4/h6,13-14H,1,5,7-9H2,2-4H3/b12-6+/t13-,14-/m1/s1
InChIKey KDBJOQLIZVATOI-BARLUBHISA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGDIYQRBYMf
Name 1-((1R,8S,E)-10,10-Dimethyl-7-methylenebicyclo[6.2.0]dec-4-en-4-yl)ethanone
Appearance White waxy solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-10-5-6-12(11(2)16)7-8-14-13(10)9-15(14,3)4/h6,13-14H,1,5,7-9H2,2-4H3/b12-6+/t13-,14-/m1/s1
InChIKey KDBJOQLIZVATOI-BARLUBHISA-N
Instrument Name Agilent 6890-5973 GC
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.2c00470
Molecular Weight 218.340 g/mol
Optical Rotation [a]D25 = +49.4 (c = 2.67, CH2Cl2)
Reported Formula C15H22O
SMILES [C@]12([C@@](CC\C(=C/CC2=C)C(=O)C)(C(C1)(C)C)[H])[H]
SPLASH splash10-00kf-8910000000-f6fe76f2eb4455ada9b6
Source of Spectrum G4-85-2069-3
Wiley ID 1884168