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2-allyl-2-methyl-butanedioic acid
SpectraBase Compound ID LC865ZNcExB
InChI InChI=1S/C8H12O4/c1-3-4-8(2,7(11)12)5-6(9)10/h3H,1,4-5H2,2H3,(H,9,10)(H,11,12)
InChIKey FNZBRJIFXCWRFS-UHFFFAOYSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9exZxKHqZXt
Name 2-allyl-2-methyl-butanedioic acid
CAS Registry Number 113661-33-9
Comments Less than 3 mono-isotopic peaks
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Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-3-4-8(2,7(11)12)5-6(9)10/h3H,1,4-5H2,2H3,(H,9,10)(H,11,12)
InChIKey FNZBRJIFXCWRFS-UHFFFAOYSA-N
Molecular Weight 172.180 g/mol
SMILES OC(C(CC(=O)O)(CC=C)C)=O
SPLASH splash10-004i-0900000000-bb6cf1914c43857087b6
Source of Spectrum KC-1987-1683-18
Synonyms 2-allyl-2-methyl-succinic acid 2-methyl-2-prop-2-enyl-butanedioic acid
Wiley ID 1168487