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3-Methyl-3-butenoic acid
SpectraBase Compound ID 8SJCmQZo7Jk
InChI InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h1,3H2,2H3,(H,6,7)
InChIKey IGRURXZWJCSNKU-UHFFFAOYSA-N
Mol Weight 100.12 g/mol
Molecular Formula C5H8O2
Exact Mass 100.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4eoi6vnV7m4
Name 3-Methyl-3-butenoic acid
Alternate Name(s) 3-Methylbut-3-enoic acid CH2=C(CH3)CH2COOH Isopropenylacetic acid
CAS Registry Number 1617-31-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8O2
InChI InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h1,3H2,2H3,(H,6,7)
InChIKey IGRURXZWJCSNKU-UHFFFAOYSA-N
Molecular Weight 100.117 g/mol
SMILES OC(=O)CC(C)=C
SPLASH splash10-004l-9000000000-fd26940b83c1f91a4b76
Source of Spectrum NW-2942-0-0
Wiley ID 1119461