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trans-3-(Ethoxycarbonyl)-2-ethyl-4-propyl-4-heptanolide
SpectraBase Compound ID L2PaQwsUsk7
InChI InChI=1S/C15H26O4/c1-5-9-15(10-6-2)12(14(17)18-8-4)11(7-3)13(16)19-15/h11-12H,5-10H2,1-4H3/t11-,12+/m1/s1
InChIKey DXIMGWRFHSKTDC-NEPJUHHUSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CibwHXIZ6QI
Name trans-3-(Ethoxycarbonyl)-2-ethyl-4-propyl-4-heptanolide
Alternate Name(s) Ethyl (3R,4R)-4-ethyl-5-oxo-2,2-dipropyltetrahydro-3-furancarboxylate
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Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-5-9-15(10-6-2)12(14(17)18-8-4)11(7-3)13(16)19-15/h11-12H,5-10H2,1-4H3/t11-,12+/m1/s1
InChIKey DXIMGWRFHSKTDC-NEPJUHHUSA-N
Molecular Weight 270.369 g/mol
SMILES [C@]1(C(OC([C@@]1(CC)[H])=O)(CCC)CCC)(C(=O)OCC)[H]
SPLASH splash10-00dl-9210000000-dd303e541306834d21ee
Source of Spectrum F-49-1601-15
Wiley ID 1274237