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(+)-Allyl (5S,6R)-5,6-dihydroxycyclohexa-1,3-dienecarboxylate
SpectraBase Compound ID AxXuOssUrsT
InChI InChI=1S/C10H12O4/c1-2-6-14-10(13)7-4-3-5-8(11)9(7)12/h2-5,8-9,11-12H,1,6H2/t8-,9+/m0/s1
InChIKey PNTPNHLZTOFYDN-DTWKUNHWSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLKPh7Xdzc2
Name (+)-Allyl (5S,6R)-5,6-dihydroxycyclohexa-1,3-dienecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-2-6-14-10(13)7-4-3-5-8(11)9(7)12/h2-5,8-9,11-12H,1,6H2/t8-,9+/m0/s1
InChIKey PNTPNHLZTOFYDN-DTWKUNHWSA-N
Literature Reference DOI 10.1039/c4ob01417k
Molecular Weight 196.202 g/mol
SMILES O[C@@]1(C(=CC=C[C@@]1(O)[H])C(=O)OCC=C)[H]
SPLASH splash10-0076-4900000000-d647b82ba0ecaca52ec1
Source of Spectrum F5-12-7815-16
Synonyms (5S,6R)-allyl 5,6-dihydroxycyclohexa-1,3-dienecarboxylate (5S,6R)-5,6-dihydroxy-1-cyclohexa-1,3-dienecarboxylic acid prop-2-enyl ester Prop-2-enyl (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate Allyl (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate Prop-2-enyl (5S,6R)-5,6-bis(oxidanyl)cyclohexa-1,3-diene-1-carboxylate
Wiley ID 1748289