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ADUNCUMENE;METHYL-2-METHOXY-5-(3'-METHYL-1'-OXO-2'-BUTENYL)-BENZOATE
SpectraBase Compound ID 1OmfTOuSAWZ
InChI InChI=1S/C14H16O4/c1-9(2)7-12(15)10-5-6-13(17-3)11(8-10)14(16)18-4/h5-8H,1-4H3
InChIKey PHPCTTJFNKISSP-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSq5a4vqHrX
Name ADUNCUMENE;METHYL-2-METHOXY-5-(3'-METHYL-1'-OXO-2'-BUTENYL)-BENZOATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-9(2)7-12(15)10-5-6-13(17-3)11(8-10)14(16)18-4/h5-8H,1-4H3
InChIKey PHPCTTJFNKISSP-UHFFFAOYSA-N
Literature Reference Author J.H.G.LAGO,C.S.RAMOS,D.C.C.CASANOVA,A.D.A.MORANDIM,D.C.B.BER GAMO,A.J.CAVALHEIRO,
Literature Reference Citation J.NAT.PROD.,67,1783(2004)
Literature Reference DOI 10.1021/np030530j
Molecular Weight 248.279 g/mol
Solvent CDCl3
Source File Reference UWMZ6647