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5-Methyl-1-hexyne
SpectraBase Compound ID 5PcdDlfmSCa
InChI InChI=1S/C7H12/c1-4-5-6-7(2)3/h1,7H,5-6H2,2-3H3
InChIKey HKNANEMUCJGPMS-UHFFFAOYSA-N
Mol Weight 96.17 g/mol
Molecular Formula C7H12
Exact Mass 96.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1b5altbvMGZ
Name 1-Hexyne, 5-methyl-
CAS Registry Number 2203-80-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12
InChI InChI=1S/C7H12/c1-4-5-6-7(2)3/h1,7H,5-6H2,2-3H3
InChIKey HKNANEMUCJGPMS-UHFFFAOYSA-N
Molecular Weight 96.173 g/mol
SMILES C#CCCC(C)C
SPLASH splash10-056c-9000000000-8d7f33cf0577930d39cb
Source of Spectrum JX-2015-6-5224
Synonyms (CH3)2CH(CH2)2C.$.CH 5-Methyl-1-hexyne 5-Methylhex-1-yne
Wiley ID 1729060