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trans-3-[(1,1-Dimethylethoxy)carbonyl]-2-methyl-4-propyl-4-heptanolide
SpectraBase Compound ID 7Ymr7oJt4Jh
InChI InChI=1S/C16H28O4/c1-7-9-16(10-8-2)12(11(3)13(17)20-16)14(18)19-15(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12+/m1/s1
InChIKey VNTWNNGYVKQFIS-NEPJUHHUSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A45CmwMaclG
Name trans-3-[(1,1-Dimethylethoxy)carbonyl]-2-methyl-4-propyl-4-heptanolide
Alternate Name(s) tert-Butyl (3R,4R)-4-methyl-5-oxo-2,2-dipropyltetrahydro-3-furancarboxylate
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Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-7-9-16(10-8-2)12(11(3)13(17)20-16)14(18)19-15(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12+/m1/s1
InChIKey VNTWNNGYVKQFIS-NEPJUHHUSA-N
Molecular Weight 284.396 g/mol
SMILES [C@]1(C(OC([C@@]1(C)[H])=O)(CCC)CCC)(C(OC(C)(C)C)=O)[H]
SPLASH splash10-0a4r-9200000000-2ce107cea15360c254dc
Source of Spectrum F-49-1600-10
Wiley ID 1287966