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3-Hydroxy-4-[(Z)-5-keto-3,7-dimethyl-oct-3-enoxy]benzoic acid methyl ester
SpectraBase Compound ID KWWifGuJBpf
InChI InChI=1S/C18H24O5/c1-12(2)9-15(19)10-13(3)7-8-23-17-6-5-14(11-16(17)20)18(21)22-4/h5-6,10-12,20H,7-9H2,1-4H3/b13-10-
InChIKey MRRGWMJAFBBWEI-RAXLEYEMSA-N
Mol Weight 320.38 g/mol
Molecular Formula C18H24O5
Exact Mass 320.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5fetQAsHak
Name 3-Hydroxy-4-[(Z)-5-keto-3,7-dimethyl-oct-3-enoxy]benzoic acid methyl ester
Alternate Name(s) 4-[(Z)-3,7-dimethyl-5-oxooct-3-enoxy]-3-hydroxybenzoic acid methyl ester Methyl 4-[(Z)-3,7-dimethyl-5-oxidanylidene-oct-3-enoxy]-3-oxidanyl-benzoate Methyl 4-[(Z)-3,7-dimethyl-5-oxo-oct-3-enoxy]-3-hydroxy-benzoate
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Formula C18H24O5
InChI InChI=1S/C18H24O5/c1-12(2)9-15(19)10-13(3)7-8-23-17-6-5-14(11-16(17)20)18(21)22-4/h5-6,10-12,20H,7-9H2,1-4H3/b13-10-
InChIKey MRRGWMJAFBBWEI-RAXLEYEMSA-N
Molecular Weight 320.385 g/mol
SMILES Oc1cc(C(=O)OC)ccc1OCC\C(=C/C(=O)CC(C)C)C
SPLASH splash10-0f6t-4900000000-8085a61ac2855b5aa49f
Source of Spectrum G4-61-128-10
Wiley ID 1607067