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1-Methyl-4-[1',5'-dimethyl-1'-isocyanohex-4'-en-1'-yl]-cyclohex-1-ene
SpectraBase Compound ID BN09upCS0FC
InChI InChI=1S/C16H25N/c1-13(2)7-6-12-16(4,17-5)15-10-8-14(3)9-11-15/h7-8,15H,6,9-12H2,1-4H3
InChIKey CSKXFQOQKCBFIG-UHFFFAOYSA-N
Mol Weight 231.38 g/mol
Molecular Formula C16H25N
Exact Mass 231.1987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 835AxOyIvck
Name 1-Methyl-4-[1',5'-dimethyl-1'-isocyanohex-4'-en-1'-yl]-cyclohex-1-ene
Alternate Name(s) 7-isocyano-7,8-dihydro-.alpha.-bisabolene 4-(2-isocyano-6-methylhept-5-en-2-yl)-1-methylcyclohex-1-ene
CAS Registry Number 105281-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25N
InChI InChI=1S/C16H25N/c1-13(2)7-6-12-16(4,17-5)15-10-8-14(3)9-11-15/h7-8,15H,6,9-12H2,1-4H3
InChIKey CSKXFQOQKCBFIG-UHFFFAOYSA-N
Molecular Weight 231.383 g/mol
SMILES C([N+]#[C-])(C1CC=C(CC1)C)(CCC=C(C)C)C
SPLASH splash10-0pi3-3940000000-310ce2e30da635170268
Source of Spectrum J-51-5139-16
Wiley ID 1233065