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(E)-3-Methyl-2-hexen-4-ynoic acid
SpectraBase Compound ID 1eFKJ8ASwqX
InChI InChI=1S/C7H8O2/c1-3-4-6(2)5-7(8)9/h5H,1-2H3,(H,8,9)/b6-5+
InChIKey ZBSHDAKWUQGJLS-AATRIKPKSA-N
Mol Weight 124.14 g/mol
Molecular Formula C7H8O2
Exact Mass 124.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1fbP2FUUsI
Name (E)-3-Methyl-2-hexen-4-ynoic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8O2
InChI InChI=1S/C7H8O2/c1-3-4-6(2)5-7(8)9/h5H,1-2H3,(H,8,9)/b6-5+
InChIKey ZBSHDAKWUQGJLS-AATRIKPKSA-N
Molecular Weight 124.139 g/mol
SMILES OC(\C=C\(C#CC)C)=O
SPLASH splash10-00fr-4900000000-4c390b027a50eeee2471
Source of Spectrum K-128-856-16
Synonyms (2E)-3-methyl-2-hexen-4-ynoic acid
Wiley ID 1128807