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Braunicene

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Braunicene
SpectraBase Compound ID 9PXDL6EzM4s
InChI InChI=1S/C32H54/c1-12-32(11,22-13-14-25(4)15-17-27(6)24(2)3)23-21-26(5)16-20-30-28(7)18-19-29(8)31(30,9)10/h12,14,21,23,26-27,29-30H,1-2,7,13,15-20,22H2,3-6,8-11H3/b23-21+,25-14+
InChIKey XXQORUYLYHOQDQ-CCVIDLEHSA-N
Mol Weight 438.8 g/mol
Molecular Formula C32H54
Exact Mass 438.422552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9xYyRQh5GH
Name Cyclohexane, 2-(6-ethenyl-3,6,10,13,14-pentamethyl-4,9,14-pentadecatrienyl)-1,1,6-trimethyl-3-methylene-
Alternate Name(s) (-)-Braunicene 1,1,6-trimethyl-3-methylene-2-[(4E,9E)-3,6,10,13,14-pentamethyl-6-vinyl-4,9,14-pentadecatrienyl]cyclohexane 1-Methylene-3,3,4-trimethyl-2-(3,6,10,13,14-penta-methyl-6-(ethenyl)-pentadeca-4,9,14-tri-enyl)-cyclohexane 2-[(4E,9E)-6-ethenyl-3,6,10,13,14-pentamethylpentadeca-4,9,14-trienyl]-1,1,6-trimethyl-3-methylenecyclohexane 2-[(4E,9E)-6-ethenyl-3,6,10,13,14-pentamethylpentadeca-4,9,14-trienyl]-1,1,6-trimethyl-3-methylidenecyclohexane 2-[(4E,9E)-6-ethenyl-3,6,10,13,14-pentamethyl-pentadeca-4,9,14-trienyl]-1,1,6-trimethyl-3-methylidene-cyclohexane
CAS Registry Number 114528-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H54
InChI InChI=1S/C32H54/c1-12-32(11,22-13-14-25(4)15-17-27(6)24(2)3)23-21-26(5)16-20-30-28(7)18-19-29(8)31(30,9)10/h12,14,21,23,26-27,29-30H,1-2,7,13,15-20,22H2,3-6,8-11H3/b23-21+,25-14+
InChIKey XXQORUYLYHOQDQ-CCVIDLEHSA-N
Molecular Weight 438.784 g/mol
SMILES C1(C(C(=C)CCC1C)CCC(\C=C\C(C=C)(CC\C=C\(CCC(C(=C)C)C)C)C)C)(C)C
SPLASH splash10-0592-5920100000-bab58a12664012ec25b0
Source of Spectrum C-110-3964-11
Wiley ID 1384346