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1,3-Benzodioxole-5-acetic acid, .alpha.,6-dihydroxy-.alpha.-methyl-, ethyl ester, (R)-
SpectraBase Compound ID AkUBP5P89WE
InChI InChI=1S/C12H14O6/c1-3-16-11(14)12(2,15)7-4-9-10(5-8(7)13)18-6-17-9/h4-5,13,15H,3,6H2,1-2H3/t12-/m1/s1
InChIKey YFLKEAGJZSIQCY-GFCCVEGCSA-N
Mol Weight 254.24 g/mol
Molecular Formula C12H14O6
Exact Mass 254.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ORDtSXcHdR
Name 1,3-Benzodioxole-5-acetic acid, .alpha.,6-dihydroxy-.alpha.-methyl-, ethyl ester, (R)-
Alternate Name(s) Ethyl (2R)-2-hydroxy-2-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate
CAS Registry Number 113322-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O6
InChI InChI=1S/C12H14O6/c1-3-16-11(14)12(2,15)7-4-9-10(5-8(7)13)18-6-17-9/h4-5,13,15H,3,6H2,1-2H3/t12-/m1/s1
InChIKey YFLKEAGJZSIQCY-GFCCVEGCSA-N
Molecular Weight 254.238 g/mol
SMILES O[C@](c1c(cc2c(c1)OCO2)O)(C(=O)OCC)C
SPLASH splash10-001i-0910000000-26a8171ed49c3c377bd9
Source of Spectrum J-53-1783-0
Wiley ID 1257371