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Ethyl (2E,6S,7S)-7,8-Dihydroxy-2,6-dimethyl-2-octenoate
SpectraBase Compound ID gOOku3d8Kk
InChI InChI=1S/C12H22O4/c1-4-16-12(15)10(3)7-5-6-9(2)11(14)8-13/h7,9,11,13-14H,4-6,8H2,1-3H3/b10-7+/t9-,11+/m0/s1
InChIKey KCMCHSFGZDVBKF-YZMGIVQGSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9v9Ow4ekJ5j
Name Ethyl (2E,6S,7S)-7,8-Dihydroxy-2,6-dimethyl-2-octenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-4-16-12(15)10(3)7-5-6-9(2)11(14)8-13/h7,9,11,13-14H,4-6,8H2,1-3H3/b10-7+/t9-,11+/m0/s1
InChIKey KCMCHSFGZDVBKF-YZMGIVQGSA-N
Molecular Weight 230.304 g/mol
SMILES O[C@](CO)([C@](CC\C=C\(C(=O)OCC)C)(C)[H])[H]
SPLASH splash10-0537-9600000000-fdb3eae573b557e04733
Source of Spectrum K1-0-904-9
Synonyms (E,6S,7S)-7,8-dihydroxy-2,6-dimethyl-2-octenoic acid ethyl ester Ethyl (E,6S,7S)-7,8-dihydroxy-2,6-dimethyloct-2-enoate Ethyl (E,6S,7S)-7,8-dihydroxy-2,6-dimethyl-oct-2-enoate Ethyl (E,6S,7S)-2,6-dimethyl-7,8-bis(oxidanyl)oct-2-enoate
Wiley ID 1588425