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PACIFICIN_I
SpectraBase Compound ID 2IeSI0wnkff
InChI InChI=1S/C20H32/c1-15(2)8-7-12-20(5)13-11-16(3)9-6-10-17(4)18-14-19(18)20/h8-9,18-19H,4,6-7,10-14H2,1-3,5H3/b16-9+/t18-,19+,20+/m1/s1
InChIKey SLLJXDWDIIKACA-BSHNENNUSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bynB1iufz0
Name Pacificin I
Alternate Name(s) (1S,5E,9S,10S)-6,9-dimethyl-2-methylidene-9-(4-methylpent-3-enyl)bicyclo[8.1.0]undec-5-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32
InChI InChI=1S/C20H32/c1-15(2)8-7-12-20(5)13-11-16(3)9-6-10-17(4)18-14-19(18)20/h8-9,18-19H,4,6-7,10-14H2,1-3,5H3/b16-9+/t18-,19+,20+/m1/s1
InChIKey SLLJXDWDIIKACA-BSHNENNUSA-N
Molecular Weight 272.476 g/mol
SMILES [C@]12([C@]([C@](CC\C(=C\CCC2=C)C)(CCC=C(C)C)C)([H])C1)[H]
SPLASH splash10-0002-9020000000-5616a9d41f48024dc44c
Source of Spectrum X2-68-77-9
Wiley ID 1609435