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(-)-AXINYSSENE
SpectraBase Compound ID ISkO562dX7q
InChI InChI=1S/C20H32/c1-16(2)8-6-9-17(3)10-7-11-19(5)20-14-12-18(4)13-15-20/h8,10,12,20H,5-7,9,11,13-15H2,1-4H3/b17-10+/t20-/m0/s1
InChIKey XENHETWDODOOQC-YZILGEIOSA-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 JEqu5xPtumu
Name Axinyssene
Appearance Colorless oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.250401030 u
Formula C20H32
GC Oven Program Oven temp 225oC
InChI InChI=1S/C20H32/c1-16(2)8-6-9-17(3)10-7-11-19(5)20-14-12-18(4)13-15-20/h8,10,12,20H,5-7,9,11,13-15H2,1-4H3/b17-10+/t20-/m0/s1
InChIKey XENHETWDODOOQC-YZILGEIOSA-N
Instrument Name SHIMADZU GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/anie.201700565
Molecular Weight 272.476 g/mol
Optical Rotation [a]D25 = -42.2 (c = 0.3, CHCl3)
Quality 388
Reported Formula C20H32
SMILES C1C(=CC[C@@](C1)(C(CC\C=C\(CCC=C(C)C)C)=C)[H])C
SPLASH splash10-05mo-9200000000-ed133bf14fae9c855862
Source of Spectrum ACI-56-SM32-10 (DOI: 10.1002/anie.201700565)
Wiley ID 1895814