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5-Methyl-5-hexenoic acid
SpectraBase Compound ID 9tIJvsKtjcT
InChI InChI=1S/C7H12O2/c1-6(2)4-3-5-7(8)9/h1,3-5H2,2H3,(H,8,9)
InChIKey HCLVGAZUVMWYLF-UHFFFAOYSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvadWA6OX5A
Name 5-Methyl-5-hexenoic acid
Alternate Name(s) 5-Hexenoic acid, 5-methyl- 5-Methylhex-5-enoic acid
CAS Registry Number 55170-74-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-6(2)4-3-5-7(8)9/h1,3-5H2,2H3,(H,8,9)
InChIKey HCLVGAZUVMWYLF-UHFFFAOYSA-N
Molecular Weight 128.171 g/mol
SMILES OC(CCCC(=C)C)=O
SPLASH splash10-014i-9000000000-d1b1abdaee3b6ecdca95
Source of Spectrum HE-1982-0-0
Wiley ID 1131137