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(3S,4R,5S)-Methyl 4,5-epoxy-3-hydroxy-cyclohex-1-ene-carboxylate
SpectraBase Compound ID JfT52oOp8ui
InChI InChI=1S/C8H10O4/c1-11-8(10)4-2-5(9)7-6(3-4)12-7/h2,5-7,9H,3H2,1H3/t5-,6-,7+/m0/s1
InChIKey UKLBIZOAVHVYIC-LYFYHCNISA-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 JEIajAiwnrD
Name (3S,4R,5S)-Methyl 4,5-epoxy-3-hydroxy-cyclohex-1-ene-carboxylate
Alternate Name(s) (1S,5S,6R)-methyl 5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate Methyl (1S,5S,6R)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate Methyl (1S,5S,6R)-5-oxidanyl-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
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Formula C8H10O4
InChI InChI=1S/C8H10O4/c1-11-8(10)4-2-5(9)7-6(3-4)12-7/h2,5-7,9H,3H2,1H3/t5-,6-,7+/m0/s1
InChIKey UKLBIZOAVHVYIC-LYFYHCNISA-N
Literature Reference DOI 10.1002/cjoc.201201000
Molecular Weight 170.164 g/mol
SMILES O[C@]1(C=C(C[C@]2([C@@]1(O2)[H])[H])C(=O)OC)[H]
SPLASH splash10-03ei-9800000000-d7426972598337b49bc5
Source of Spectrum CJC-30-2763-1b
Wiley ID 1772658