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1,5-Cyclohexadiene-1-carboxylic acid, 3,4-dihydroxy-, methyl ester, trans-
SpectraBase Compound ID CFnW6Js4q85
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-RNFRBKRXSA-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 7JztGsOj2f7
Name 1,5-Cyclohexadiene-1-carboxylic acid, 3,4-dihydroxy-, methyl ester, trans-
CAS Registry Number 52183-77-4
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-RNFRBKRXSA-N
Molecular Weight 170.164 g/mol
SMILES O[C@@]1(C=C(C=C[C@]1(O)[H])C(=O)OC)[H]
SPLASH splash10-0gxc-9600000000-7052570173b64582d41f
Source of Spectrum F5-4-2216-8f
Synonyms Methyl (3R,4R)-3,4-dihydroxy-1,5-cyclohexadiene-1-carboxylate Methyl 3,4-dihydroxy-1,5-cyclohexadiene-1-carboxylate (3R,4R)-methyl 3,4-dihydroxycyclohexa-1,5-dienecarboxylate (3R,4R)-3,4-dihydroxy-1-cyclohexa-1,5-dienecarboxylic acid methyl ester Methyl (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylate Methyl (3R,4R)-3,4-bis(oxidanyl)cyclohexa-1,5-diene-1-carboxylate
Wiley ID 1732840