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(2S,3R,4R)-4-Hexyl-2-methyl-5-oxotetrahydrofuran-3-yl 4-methylpentanoate
SpectraBase Compound ID 26ZL5Cr729j
InChI InChI=1S/C17H30O4/c1-5-6-7-8-9-14-16(13(4)20-17(14)19)21-15(18)11-10-12(2)3/h12-14,16H,5-11H2,1-4H3/t13-,14+,16-/m0/s1
InChIKey WDNLSORFCCOYFU-LZWOXQAQSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGKGp3Ihb1k
Name (2S,3R,4R)-4-Hexyl-2-methyl-5-oxotetrahydrofuran-3-yl 4-methylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-5-6-7-8-9-14-16(13(4)20-17(14)19)21-15(18)11-10-12(2)3/h12-14,16H,5-11H2,1-4H3/t13-,14+,16-/m0/s1
InChIKey WDNLSORFCCOYFU-LZWOXQAQSA-N
Literature Reference DOI 10.1002/cbic.201200260
Molecular Weight 298.423 g/mol
SMILES C1(O[C@]([C@@]([C@]1(CCCCCC)[H])(OC(CCC(C)C)=O)[H])(C)[H])=O
SPLASH splash10-0002-9200000000-ce29c981d45a29ab30b2
Source of Spectrum CBC-13-1635/SM39-85
Wiley ID 1786781