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cis-3-(Methoxycarbonyl)-2-methyl-4-propyl-4-heptanolide
SpectraBase Compound ID 4v8bBQ68GX2
InChI InChI=1S/C13H22O4/c1-5-7-13(8-6-2)10(12(15)16-4)9(3)11(14)17-13/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKey FTXHGCMKNKSOKQ-NXEZZACHSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LATd5pXqtZw
Name cis-3-(Methoxycarbonyl)-2-methyl-4-propyl-4-heptanolide
Alternate Name(s) Methyl (3S,4R)-4-methyl-5-oxo-2,2-dipropyltetrahydro-3-furancarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-5-7-13(8-6-2)10(12(15)16-4)9(3)11(14)17-13/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKey FTXHGCMKNKSOKQ-NXEZZACHSA-N
Molecular Weight 242.315 g/mol
SMILES [C@@]1(C(OC([C@@]1(C)[H])=O)(CCC)CCC)(C(=O)OC)[H]
SPLASH splash10-00dl-9200000000-858102eba37dfbf51a67
Source of Spectrum F-49-1599-8
Wiley ID 1244983