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(1R,3S,4S,5R)-3,5-Dihydroxy-4-ethyl-1-(methoxycarbonyl)cyclohexane
SpectraBase Compound ID 780eZM7Xpx1
InChI InChI=1S/C10H18O4/c1-3-7-8(11)4-6(5-9(7)12)10(13)14-2/h6-9,11-12H,3-5H2,1-2H3/t6-,7+,8+,9?/m1/s1
InChIKey GVYRVZVTGFQTGV-ROVKLQMOSA-N
Mol Weight 202.25 g/mol
Molecular Formula C10H18O4
Exact Mass 202.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKZYLbN7HAe
Name (1R,3S,4S,5R)-3,5-Dihydroxy-4-ethyl-1-(methoxycarbonyl)cyclohexane
Alternate Name(s) all cis-3,5-Dihydroxy-4-ethyl-1-(methoxycarbonyl)cyclohexane Methyl (3S,5S)-4-ethyl-3,5-dihydroxycyclohexanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O4
InChI InChI=1S/C10H18O4/c1-3-7-8(11)4-6(5-9(7)12)10(13)14-2/h6-9,11-12H,3-5H2,1-2H3/t6-,7+,8+,9?/m1/s1
InChIKey GVYRVZVTGFQTGV-ROVKLQMOSA-N
Molecular Weight 202.250 g/mol
SMILES OC1[C@]([C@](C[C@](C1)(C(=O)OC)[H])(O)[H])(CC)[H]
SPLASH splash10-0btl-8900000000-3430561b9af9ac834d77
Source of Spectrum QC-11-3894-3
Wiley ID 860146