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3-Methyl-butyric acid, 4-butyl-2-methyl-5-oxotetrahydrofuran-3-yl ester
SpectraBase Compound ID 1O8b9XwlM9I
InChI InChI=1S/C14H24O4/c1-5-6-7-11-13(10(4)17-14(11)16)18-12(15)8-9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKey PCOOFQWEKVUBNN-UHFFFAOYSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5z8pB2annjT
Name 3-Methyl-butyric acid, 4-butyl-2-methyl-5-oxotetrahydrofuran-3-yl ester
Alternate Name(s) (4-butyl-2-methyl-5-oxidanylidene-oxolan-3-yl) 3-methylbutanoate (4-butyl-2-methyl-5-oxo-tetrahydrofuran-3-yl) 3-methylbutanoate (4-butyl-2-methyl-5-oxooxolan-3-yl) 3-methylbutanoate 3-Methylbutanoic acid (4-butyl-2-methyl-5-oxo-3-oxolanyl) ester 3-Methylbutyric acid (4-butyl-5-keto-2-methyl-tetrahydrofuran-3-yl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-5-6-7-11-13(10(4)17-14(11)16)18-12(15)8-9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKey PCOOFQWEKVUBNN-UHFFFAOYSA-N
Molecular Weight 256.342 g/mol
SMILES CC1OC(C(C1OC(=O)CC(C)C)CCCC)=O
SPLASH splash10-052u-9000000000-5bbef2aeed382c48f28d
Wiley ID 1482580