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Methyl 4-(hydroxycarbonyl)-4-methyl-1-pentyn-5-oate
SpectraBase Compound ID JcOzOZZSyYJ
InChI InChI=1S/C8H10O4/c1-4-5-8(2,6(9)10)7(11)12-3/h1H,5H2,2-3H3,(H,9,10)
InChIKey CFGKDWISAAESRD-UHFFFAOYSA-N
Mol Weight 170.16 g/mol
Molecular Formula C8H10O4
Exact Mass 170.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PyvlOnHZtV
Name Methyl 4-(hydroxycarbonyl)-4-methyl-1-pentyn-5-oate
Alternate Name(s) 2-(methoxycarbonyl)-2-methyl-4-pentynoic acid Methyl 2-(hydroxycarbonyl)-1-pentyn-2-oate
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Formula C8H10O4
InChI InChI=1S/C8H10O4/c1-4-5-8(2,6(9)10)7(11)12-3/h1H,5H2,2-3H3,(H,9,10)
InChIKey CFGKDWISAAESRD-UHFFFAOYSA-N
Molecular Weight 170.164 g/mol
SMILES OC(C(C(=O)OC)(CC#C)C)=O
SPLASH splash10-03di-0900000000-cc9cb1d576899c0e081e
Source of Spectrum D1-1991-408-3
Wiley ID 834386