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trans-3-(Ethoxycarbonyl)-2-methyl-4-propyl-4-heptanolide
SpectraBase Compound ID EVU3oRURMX7
InChI InChI=1S/C14H24O4/c1-5-8-14(9-6-2)11(13(16)17-7-3)10(4)12(15)18-14/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKey MODFNDYXFLRDMC-MNOVXSKESA-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 L1qdTdswElk
Name trans-3-(Ethoxycarbonyl)-2-methyl-4-propyl-4-heptanolide
Alternate Name(s) Ethyl (3R,4R)-4-methyl-5-oxo-2,2-dipropyltetrahydro-3-furancarboxylate
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Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-5-8-14(9-6-2)11(13(16)17-7-3)10(4)12(15)18-14/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKey MODFNDYXFLRDMC-MNOVXSKESA-N
Molecular Weight 256.342 g/mol
SMILES [C@]1(C(OC([C@@]1(C)[H])=O)(CCC)CCC)(C(=O)OCC)[H]
SPLASH splash10-00xu-9110000000-eb36f9ce7e4df053b339
Source of Spectrum F-49-1599-6
Wiley ID 1259756