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1-isocyano-1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexane
SpectraBase Compound ID DjEZKiIcZB1
InChI InChI=1S/C16H25N/c1-13(2)7-6-8-14(3)15-9-11-16(4,17-5)12-10-15/h6-8,13,15H,9-12H2,1-4H3/b7-6+,14-8-/t15-,16+
InChIKey MARLZIFXCZUGPF-ZBTJVNRRSA-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 410LdqWMsrH
Name 1-isocyano-1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25N
InChI InChI=1S/C16H25N/c1-13(2)7-6-8-14(3)15-9-11-16(4,17-5)12-10-15/h6-8,13,15H,9-12H2,1-4H3/b7-6+,14-8-/t15-,16+
InChIKey MARLZIFXCZUGPF-ZBTJVNRRSA-N
Molecular Weight 231.383 g/mol
SMILES [C@]1([N+]#[C-])(CC[C@](\C(=C/C=C/C(C)C)C)(CC1)[H])C
SPLASH splash10-000i-4940000000-02edd832c6d8b3422d76
Source of Spectrum K-2002-2255-4
Wiley ID 1613084