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Ethyl (2S,3S,5S)-3-Hydroxy-5,6-(isopropylidenedioxy)-2-methylhexanoate
SpectraBase Compound ID F37982XKycX
InChI InChI=1S/C12H22O5/c1-5-15-11(14)8(2)10(13)6-9-7-16-12(3,4)17-9/h8-10,13H,5-7H2,1-4H3/t8-,9-,10-/m0/s1
InChIKey NPZCLCMGWPRHCD-GUBZILKMSA-N
Mol Weight 246.3 g/mol
Molecular Formula C12H22O5
Exact Mass 246.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7UNod2U3LW
Name Ethyl (2S,3S,5S)-3-Hydroxy-5,6-(isopropylidenedioxy)-2-methylhexanoate
Alternate Name(s) Ethyl 2,4-dideoxy-2-methyl-5,6-O-(1-methylethylidene)-D-lyxo-hexonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O5
InChI InChI=1S/C12H22O5/c1-5-15-11(14)8(2)10(13)6-9-7-16-12(3,4)17-9/h8-10,13H,5-7H2,1-4H3/t8-,9-,10-/m0/s1
InChIKey NPZCLCMGWPRHCD-GUBZILKMSA-N
Molecular Weight 246.303 g/mol
SMILES O[C@]([C@@](C(=O)OCC)(C)[H])(C[C@@]1(OC(C)(C)OC1)[H])[H]
SPLASH splash10-00ko-9710000000-edc62a056c6783606d3f
Source of Spectrum J-57-2242-36
Wiley ID 1248696