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2-[(3R,5R)-3,5-dihydroxycyclohexylidene]acetic acid ethyl ester
SpectraBase Compound ID JadNNWcFyeO
InChI InChI=1S/C10H16O4/c1-2-14-10(13)5-7-3-8(11)6-9(12)4-7/h5,8-9,11-12H,2-4,6H2,1H3/t8-,9-/m1/s1
InChIKey PLIGEEJZONMFFB-RKDXNWHRSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoZREtqTHck
Name 2-[(3R,5R)-3,5-dihydroxycyclohexylidene]acetic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-2-14-10(13)5-7-3-8(11)6-9(12)4-7/h5,8-9,11-12H,2-4,6H2,1H3/t8-,9-/m1/s1
InChIKey PLIGEEJZONMFFB-RKDXNWHRSA-N
Molecular Weight 200.234 g/mol
SMILES O[C@@]1(CC(C[C@](C1)(O)[H])=CC(=O)OCC)[H]
SPLASH splash10-053r-8900000000-c6f1bd72110d783addec
Source of Spectrum F-57-691-35
Synonyms Ethyl 2-[(3R,5R)-3,5-bis(oxidanyl)cyclohexylidene]ethanoate Ethyl 2-[(3R,5R)-3,5-dihydroxycyclohexylidene]acetate
Wiley ID 1549426