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(5S,6R)-5,6-Dihydroxy-cyclohexa-1,3-dienecarboxylic acid propyl ester
SpectraBase Compound ID 7NXA4KOngTI
InChI InChI=1S/C10H14O4/c1-2-6-14-10(13)7-4-3-5-8(11)9(7)12/h3-5,8-9,11-12H,2,6H2,1H3/t8-,9+/m0/s1
InChIKey PBZHQJDZBAWNHU-DTWKUNHWSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACKcLlU9x0w
Name (5S,6R)-5,6-Dihydroxy-cyclohexa-1,3-dienecarboxylic acid propyl ester
Alternate Name(s) 6-(Propoxycarbonyl)-(1S,2S)-1,2-dihydroxycyclohexa-3,5-diene (+)-n-Propyl (5S,6R)-5,6-dihydroxycyclohexa-1,3-dienecarboxylate (5S,6R)-5,6-dihydroxy-1-cyclohexa-1,3-dienecarboxylic acid propyl ester Propyl (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate Propyl (5S,6R)-5,6-bis(oxidanyl)cyclohexa-1,3-diene-1-carboxylate (5S,6R)-propyl 5,6-dihydroxycyclohexa-1,3-dienecarboxylate
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Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-2-6-14-10(13)7-4-3-5-8(11)9(7)12/h3-5,8-9,11-12H,2,6H2,1H3/t8-,9+/m0/s1
InChIKey PBZHQJDZBAWNHU-DTWKUNHWSA-N
Literature Reference DOI 10.1039/c4ob01417k
Molecular Weight 198.218 g/mol
SMILES O[C@@]1(C(=CC=C[C@@]1(O)[H])C(=O)OCCC)[H]
SPLASH splash10-06y9-0900000000-08b9818feb38e59569b0
Source of Spectrum F5-12-7814-13
Wiley ID 1748286