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Casbene
SpectraBase Compound ID JHYpstfYS3v
InChI InChI=1S/C20H32/c1-15-8-6-10-16(2)12-13-18-19(20(18,4)5)14-17(3)11-7-9-15/h9-10,14,18-19H,6-8,11-13H2,1-5H3/b15-9+,16-10+,17-14+
InChIKey ZJMVJDFTNPZVMB-QOCMWZQCSA-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 BcrMAVTqMwG
Name Casbene
Carrier Gas (1mL/min)
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Exact Mass 272.250401030 u
Formula C20H32
GC Column SPB-5 (30m x 0.25 mm)
GC Oven Program Oven temp 275oC
InChI InChI=1S/C20H32/c1-15-8-6-10-16(2)12-13-18-19(20(18,4)5)14-17(3)11-7-9-15/h9-10,14,18-19H,6-8,11-13H2,1-5H3/b15-9+,16-10+,17-14+
InChIKey ZJMVJDFTNPZVMB-QOCMWZQCSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.818
Molecular Weight 272.476 g/mol
Quality 107
SMILES C12C(\C=C\(CC\C=C\(CC\C=C\(CC2)C)C)C)C1(C)C
SPLASH splash10-05fu-5910000000-c8b8fe31514bcedc7248
Source of Spectrum ARK-2002-184-5 (DOI: 10.3998/ark.5550190.0003.818)
Wiley ID 1906268