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(1R,2S,4S)-2-Furan-3-yl-2,4-dihydroxy-5-methylene-cyclohexanecarboxylic acid ethyl ester
SpectraBase Compound ID 91sqMqOhRyS
InChI InChI=1S/C14H18O5/c1-3-19-13(16)11-6-9(2)12(15)7-14(11,17)10-4-5-18-8-10/h4-5,8,11-12,15,17H,2-3,6-7H2,1H3/t11-,12-,14+/m0/s1
InChIKey XCVOFYDKROWMJI-SGMGOOAPSA-N
Mol Weight 266.29 g/mol
Molecular Formula C14H18O5
Exact Mass 266.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 941SP0ui89I
Name (1R,2S,4S)-2-Furan-3-yl-2,4-dihydroxy-5-methylene-cyclohexanecarboxylic acid ethyl ester
Alternate Name(s) ethyl (1R,2S,4S)-2-(3-furyl)-2,4-dihydroxy-5-methylenecyclohexanecarboxylate Ethyl (1RS,2SR,4SR)-2,4-Dihydroxy-2-(3-furyl)-5-methylenecyclohexanecarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O5
InChI InChI=1S/C14H18O5/c1-3-19-13(16)11-6-9(2)12(15)7-14(11,17)10-4-5-18-8-10/h4-5,8,11-12,15,17H,2-3,6-7H2,1H3/t11-,12-,14+/m0/s1
InChIKey XCVOFYDKROWMJI-SGMGOOAPSA-N
Molecular Weight 266.293 g/mol
SMILES O[C@@]1(C(C[C@]([C@@](C1)(c1cocc1)O)(C(=O)OCC)[H])=C)[H]
SPLASH splash10-0002-0090000000-34d791f3df4acecf3144
Source of Spectrum KC-0-387-24
Wiley ID 787220