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1-Chloro-3,5,5-trimethyl-2-octen-6-yne
SpectraBase Compound ID BJ2k77zhHVA
InChI InChI=1S/C11H17Cl/c1-5-7-11(3,4)9-10(2)6-8-12/h6H,8-9H2,1-4H3
InChIKey NMKFJKWPNDKVHY-UHFFFAOYSA-N
Mol Weight 184.71 g/mol
Molecular Formula C11H17Cl
Exact Mass 184.101878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpDDyvVlMUN
Name 1-Chloro-3,5,5-trimethyl-2-octen-6-yne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17Cl
InChI InChI=1S/C11H17Cl/c1-5-7-11(3,4)9-10(2)6-8-12/h6H,8-9H2,1-4H3
InChIKey NMKFJKWPNDKVHY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19821151106
Molecular Weight 184.710 g/mol
SMILES C(#CC(CC(=CCCl)C)(C)C)C
SPLASH splash10-053s-2900000000-98781412a9dd705f43f4
Source of Spectrum K-115-3541-3d
Synonyms 1-Chloro-3,5,5-trimethyloct-2-en-6-yne
Wiley ID 1791926