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[7,8-(2)-H-(2)]-HEXYL-MALONATE

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[7,8-(2)-H-(2)]-HEXYL-MALONATE
SpectraBase Compound ID 2d2I1IGM3ma
InChI InChI=1S/C9H16O4/c1-2-3-4-5-6-7(8(10)11)9(12)13/h7H,2-6H2,1H3,(H,10,11)(H,12,13)/i1D,2D
InChIKey UPFSMSDGKQSRLD-QDNHWIQGSA-N
Mol Weight 190.24 g/mol
Molecular Formula C9H142H2O4
Exact Mass 190.117412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I0gi0o5RIkm
Name [7,8-(2)-H-(2)]-HEXYL-MALONATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H142H2O4
InChI InChI=1S/C9H16O4/c1-2-3-4-5-6-7(8(10)11)9(12)13/h7H,2-6H2,1H3,(H,10,11)(H,12,13)/i1D,2D
InChIKey UPFSMSDGKQSRLD-QDNHWIQGSA-N
Literature Reference Author C.A.SCHUHR,W.EISENREICH,M.GOESE,P.STOHLER,W.WEBER,E.KUPFER,A .BACHER
Literature Reference Citation J.ORG.CHEM.,67,2257(2002)
Literature Reference DOI 10.1021/jo016285v
Molecular Weight 190.236 g/mol
Solvent Unknown
Source File Reference UWMS23859