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(3R,4R,5S,6S)-3-(1-carbomethoxyvinyloxy)-6-chloro-4,5-dihydroxy-cyclohexene-1-carboxylic acid methyl ester
SpectraBase Compound ID BcuSp7x5ttK
InChI InChI=1S/C12H15ClO7/c1-5(11(16)18-2)20-7-4-6(12(17)19-3)8(13)10(15)9(7)14/h4,7-10,14-15H,1H2,2-3H3/t7-,8+,9+,10-/m1/s1
InChIKey YQJPPQJZNBQQCU-XFWSIPNHSA-N
Mol Weight 306.7 g/mol
Molecular Formula C12H15ClO7
Exact Mass 306.050631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12mzpsdIuW
Name (3R,4R,5S,6S)-3-(1-carbomethoxyvinyloxy)-6-chloro-4,5-dihydroxy-cyclohexene-1-carboxylic acid methyl ester
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Formula C12H15ClO7
InChI InChI=1S/C12H15ClO7/c1-5(11(16)18-2)20-7-4-6(12(17)19-3)8(13)10(15)9(7)14/h4,7-10,14-15H,1H2,2-3H3/t7-,8+,9+,10-/m1/s1
InChIKey YQJPPQJZNBQQCU-XFWSIPNHSA-N
Molecular Weight 306.698 g/mol
SMILES O[C@]1([C@]([C@@](C=C([C@@]1(Cl)[H])C(=O)OC)(OC(C(=O)OC)=C)[H])(O)[H])[H]
SPLASH splash10-0a4r-0920000000-8537c408bd6fa52b00d2
Source of Spectrum J-58-6915-3
Synonyms (3R,4R,5S,6S)-6-chloro-4,5-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxy-1-cyclohexenecarboxylic acid methyl ester Methyl (3R,4R,5S,6S)-6-chloranyl-3-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylate Methyl (3R,4R,5S,6S)-6-chloro-4,5-dihydroxy-3-(1-methoxycarbonylvinyloxy)cyclohexene-1-carboxylate Methyl (3R,4R,5S,6S)-6-chloro-4,5-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexene-1-carboxylate
Wiley ID 1307674