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1,5-Cyclohexadiene-1-carboxylic acid, 3,4-dihydroxy-, methyl ester, cis-(.+-.)-
SpectraBase Compound ID B1jvXjVTzgU
InChI InChI=1S/C8H10O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,6-7,9-10H,1H3/t6-,7+/m1/s1
InChIKey RZPZYXPCXSZSBW-RQJHMYQMSA-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 2iHV4vtgEff
Name 1,5-Cyclohexadiene-1-carboxylic acid, 3,4-dihydroxy-, methyl ester, cis-(.+-.)-
Alternate Name(s) Methyl (3S,4R)-3,4-dihydroxy-1,5-cyclohexadiene-1-carboxylate Methyl 3.alpha.,4.alpha.-dihydroxycyclohexa-1,5-dieneoate
CAS Registry Number 88517-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O4
InChI InChI=1S/C8H10O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,6-7,9-10H,1H3/t6-,7+/m1/s1
InChIKey RZPZYXPCXSZSBW-RQJHMYQMSA-N
Molecular Weight 170.164 g/mol
SMILES O[C@]1(C=C(C=C[C@]1(O)[H])C(=O)OC)[H]
SPLASH splash10-0udr-0900000000-8d6e7c4bd4527414004e
Source of Spectrum F-46-3987-12
Wiley ID 1166321