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Pent-1-en-3-one, 1-(4-chlorophenyl)-4,5-dihydroxy-4-methyl-
SpectraBase Compound ID 199SS2OtOAB
InChI InChI=1S/C12H13ClO3/c1-12(16,8-14)11(15)7-4-9-2-5-10(13)6-3-9/h2-7,14,16H,8H2,1H3/b7-4+
InChIKey HOOMFUCSSUDOOP-QPJJXVBHSA-N
Mol Weight 240.69 g/mol
Molecular Formula C12H13ClO3
Exact Mass 240.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZPig3BnrAj
Name Pent-1-en-3-one, 1-(4-chlorophenyl)-4,5-dihydroxy-4-methyl-
Alternate Name(s) (1E)-1-(4-Chlorophenyl)-4,5-dihydroxy-4-methyl-1-penten-3-one (E)-1-(4-chlorophenyl)-4,5-dihydroxy-4-methyl-1-penten-3-one (E)-1-(4-chlorophenyl)-4,5-dihydroxy-4-methyl-pent-1-en-3-one (E)-1-(4-chlorophenyl)-4-methyl-4,5-bis(oxidanyl)pent-1-en-3-one
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Formula C12H13ClO3
InChI InChI=1S/C12H13ClO3/c1-12(16,8-14)11(15)7-4-9-2-5-10(13)6-3-9/h2-7,14,16H,8H2,1H3/b7-4+
InChIKey HOOMFUCSSUDOOP-QPJJXVBHSA-N
Molecular Weight 240.686 g/mol
SMILES OC(CO)(C(\C=C\c1ccc(cc1)Cl)=O)C
SPLASH splash10-00or-9500000000-a25bc6977238a0c3137b
Wiley ID 1439247