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Methyl 5-hydroxy-5-methyl-2-hexenoate
SpectraBase Compound ID K4PWRejfOqY
InChI InChI=1S/C8H14O3/c1-8(2,10)6-4-5-7(9)11-3/h4-5,10H,6H2,1-3H3/b5-4+
InChIKey PUKJQFLADBZYGI-SNAWJCMRSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hvy2HfYXJpz
Name Methyl 5-hydroxy-5-methyl-2-hexenoate
CAS Registry Number 92186-90-8
Comments Less than 3 mono-isotopic peaks
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Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-8(2,10)6-4-5-7(9)11-3/h4-5,10H,6H2,1-3H3/b5-4+
InChIKey PUKJQFLADBZYGI-SNAWJCMRSA-N
Molecular Weight 158.197 g/mol
SMILES OC(C\C=C\C(=O)OC)(C)C
SPLASH splash10-0udi-0900000000-3543df7b37b417f7f726
Source of Spectrum J-49-4428-0
Synonyms methyl (2E)-5-hydroxy-5-methyl-2-hexenoate
Wiley ID 1155145