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7-methyl-3-octyne
SpectraBase Compound ID Az5vEBnMlio
InChI InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h9H,4,7-8H2,1-3H3
InChIKey ZDXUMWBWHSCWBK-UHFFFAOYSA-N
Mol Weight 124.23 g/mol
Molecular Formula C9H16
Exact Mass 124.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IakT0Sg2ZvE
Name 3-Octyne, 7-methyl-
CAS Registry Number 37050-06-9
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16
InChI InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h9H,4,7-8H2,1-3H3
InChIKey ZDXUMWBWHSCWBK-UHFFFAOYSA-N
Molecular Weight 124.227 g/mol
SMILES CCC#CCCC(C)C
SPLASH splash10-0693-9000000000-d36c2aedfdcf057de6ea
Source of Spectrum HE-1982-0-0
Synonyms 7-Methyl-3-octyne 7-Methyloct-3-yne
Wiley ID 1129160