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Butanoic acid, 3-hydroxy-, 3-(1,1-dimethylethoxy)-1-methyl-3-oxopropyl ester, [R-(R*,R*)]-
SpectraBase Compound ID DP7HMrLDSpm
InChI InChI=1S/C12H22O5/c1-8(13)6-10(14)16-9(2)7-11(15)17-12(3,4)5/h8-9,13H,6-7H2,1-5H3/t8?,9-/m1/s1
InChIKey QLXTYEAOSUPHQK-YGPZHTELSA-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 65hwUGUaJTh
Name Butanoic acid, 3-hydroxy-, 3-(1,1-dimethylethoxy)-1-methyl-3-oxopropyl ester, [R-(R*,R*)]-
CAS Registry Number 116761-28-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O5
InChI InChI=1S/C12H22O5/c1-8(13)6-10(14)16-9(2)7-11(15)17-12(3,4)5/h8-9,13H,6-7H2,1-5H3/t8?,9-/m1/s1
InChIKey QLXTYEAOSUPHQK-YGPZHTELSA-N
Molecular Weight 246.303 g/mol
SMILES OC(CC(O[C@@](CC(OC(C)(C)C)=O)(C)[H])=O)C
SPLASH splash10-0a4i-9000000000-c5c0c0e1b104b8693574
Source of Spectrum H-71-165-17
Synonyms (1R)-3-tert-butoxy-1-methyl-3-oxopropyl 3-hydroxybutanoate t-Butyl 3-{[(3'R)-3'-hydroxybutanoyl]oxy}butanoate
Wiley ID 1248691