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METHYL-4-[[(3E)-3,7-DIMETHYL-5-OXO-3-OCTENYL]-OXY]-3-HYDROXYBENZOATE
SpectraBase Compound ID 7hRZoYh4JhO
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-JLHYYAGUSA-N
Mol Weight 320.39 g/mol
Molecular Formula C18H24O5
Exact Mass 320.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID M4MgQlMxap
Name 3-Hydroxy-4-[(E)-5-keto-3,7-dimethyl-oct-3-enoxy]benzoic acid methyl ester
Alternate Name(s) 4-[(E)-3,7-dimethyl-5-oxooct-3-enoxy]-3-hydroxybenzoic acid methyl ester Methyl 4-[(E)-3,7-dimethyl-5-oxidanylidene-oct-3-enoxy]-3-oxidanyl-benzoate Methyl 4-[(E)-3,7-dimethyl-5-oxo-oct-3-enoxy]-3-hydroxy-benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-JLHYYAGUSA-N
Molecular Weight 320.385 g/mol
SMILES Oc1cc(C(=O)OC)ccc1OCC\C(=C\C(=O)CC(C)C)C
SPLASH splash10-0udj-4900000000-de6950739eebb022a48f
Source of Spectrum G4-61-128-8
Wiley ID 1607069