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METHYL-4-[(3,7)-DIMETHYL-5-OXO-3-OCTYL)-OXY]-3-HYDROXYBENZOATE
SpectraBase Compound ID 9DIhGVBqdol
InChI InChI=1S/C18H26O5/c1-12(2)9-15(19)10-13(3)7-8-23-17-6-5-14(11-16(17)20)18(21)22-4/h5-6,11-13,20H,7-10H2,1-4H3
InChIKey MLTUBLHADMURPH-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFbdSk1dfVM
Name METHYL-4-[(3,7)-DIMETHYL-5-OXO-3-OCTYL)-OXY]-3-HYDROXYBENZOATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-12(2)9-15(19)10-13(3)7-8-23-17-6-5-14(11-16(17)20)18(21)22-4/h5-6,11-13,20H,7-10H2,1-4H3
InChIKey MLTUBLHADMURPH-UHFFFAOYSA-N
Literature Reference Author S.H.BAEK,N.B.PERRY,R.T.WEAVERS,R.S.TANGNEY
Literature Reference Citation J.NAT.PROD.,61,126(1998)
Literature Reference DOI 10.1021/np970379b
Molecular Weight 322.401 g/mol
Solvent CDCl3
Source File Reference UWKP117