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(2S,3R,4R)-4-Butyl-2-methyl-5-oxotetrahydrofuran-3-yl isobutyrate
SpectraBase Compound ID 7rqQafynmZt
InChI InChI=1S/C13H22O4/c1-5-6-7-10-11(9(4)16-13(10)15)17-12(14)8(2)3/h8-11H,5-7H2,1-4H3/t9-,10+,11-/m0/s1
InChIKey GXEDZZDUBCTZTN-AXFHLTTASA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zWhw1yOSe
Name (2S,3R,4R)-4-Butyl-2-methyl-5-oxotetrahydrofuran-3-yl isobutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-5-6-7-10-11(9(4)16-13(10)15)17-12(14)8(2)3/h8-11H,5-7H2,1-4H3/t9-,10+,11-/m0/s1
InChIKey GXEDZZDUBCTZTN-AXFHLTTASA-N
Literature Reference DOI 10.1002/cbic.201200260
Molecular Weight 242.315 g/mol
SMILES C1(O[C@]([C@@]([C@]1(CCCC)[H])(OC(C(C)C)=O)[H])(C)[H])=O
SPLASH splash10-00dm-9100000000-698923b37b82b157460a
Source of Spectrum CBC-13-1635/SM33-30
Wiley ID 1786746