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1,2-bis(5-methylhex-1-ynyl)cyclohept-1-ene
SpectraBase Compound ID 6RjIy6IRDtO
InChI InChI=1S/C21H32/c1-18(2)12-8-10-16-20-14-6-5-7-15-21(20)17-11-9-13-19(3)4/h18-19H,5-9,12-15H2,1-4H3
InChIKey GURVOOHEXOYRSZ-UHFFFAOYSA-N
Mol Weight 284.5 g/mol
Molecular Formula C21H32
Exact Mass 284.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AnURqZa2Zm
Name 1,2-bis(5-methylhex-1-ynyl)cyclohept-1-ene
Alternate Name(s) 1,2-bis(5-methylhex-1-yn-1-yl)cyclohept-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32
InChI InChI=1S/C21H32/c1-18(2)12-8-10-16-20-14-6-5-7-15-21(20)17-11-9-13-19(3)4/h18-19H,5-9,12-15H2,1-4H3
InChIKey GURVOOHEXOYRSZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201700231
Molecular Weight 284.487 g/mol
SMILES C1CC(=C(CCC1)C#CCCC(C)C)C#CCCC(C)C
SPLASH splash10-01u3-1930000000-131cc3dd7bcdf5ba4586
Source of Spectrum ASC-359-1637/SM11-1m
Wiley ID 1807590