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1-Ethyl 8-methyl 2,3-dihydroxyoctan-1,8-dioate
SpectraBase Compound ID JfRg9NVephi
InChI InChI=1S/C11H20O6/c1-3-17-11(15)10(14)8(12)6-4-5-7-9(13)16-2/h8,10,12,14H,3-7H2,1-2H3/t8-,10+/m0/s1
InChIKey XJJZYYGLPWCYGI-WCBMZHEXSA-N
Mol Weight 248.27 g/mol
Molecular Formula C11H20O6
Exact Mass 248.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NqLUk0ykCY
Name 1-Ethyl 8-methyl 2,3-dihydroxyoctan-1,8-dioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O6
InChI InChI=1S/C11H20O6/c1-3-17-11(15)10(14)8(12)6-4-5-7-9(13)16-2/h8,10,12,14H,3-7H2,1-2H3/t8-,10+/m0/s1
InChIKey XJJZYYGLPWCYGI-WCBMZHEXSA-N
Molecular Weight 248.275 g/mol
SMILES O[C@]([C@](C(=O)OCC)(O)[H])(CCCCC(=O)OC)[H]
SPLASH splash10-0h00-9800000000-ba9e667a3d1987c903ed
Source of Spectrum AT-42-4892-2
Synonyms (2R,3S)-2,3-Dihydroxy-octanedioic acid 1-ethyl ester 8-methyl ester 1-Ethyl 8-methyl 2,3-dihydroxyoctanedioate (2R,3S)-2,3-dihydroxyoctanedioic acid O1-ethyl ester O8-methyl ester 1-O-ethyl 8-O-methyl (2R,3S)-2,3-dihydroxyoctanedioate O1-ethyl O8-methyl (2R,3S)-2,3-dihydroxyoctanedioate O1-ethyl O8-methyl (2R,3S)-2,3-bis(oxidanyl)octanedioate
Wiley ID 855153