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AGARSEMOLIDE;MINOR_ISOMER
SpectraBase Compound ID 8QxygRgOsXE
InChI InChI=1S/C15H16O3/c1-7-4-10-13(11(16)5-7)8(2)6-12-14(10)9(3)15(17)18-12/h6-7,9H,4-5H2,1-3H3/t7-,9-/m1/s1
InChIKey XTJMKOJOAUPWMV-VXNVDRBHSA-N
Mol Weight 244.29 g/mol
Molecular Formula C15H16O3
Exact Mass 244.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WsMdl9XFbw
Name AGARSEMOLIDE;MINOR_ISOMER
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16O3
InChI InChI=1S/C15H16O3/c1-7-4-10-13(11(16)5-7)8(2)6-12-14(10)9(3)15(17)18-12/h6-7,9H,4-5H2,1-3H3/t7-,9-/m1/s1
InChIKey XTJMKOJOAUPWMV-VXNVDRBHSA-N
Literature Reference Author S.SANTORO,S.SUPERCHI,F.MESSINA,E.SANTORO,O.ROSATI,C.SANTI,M. C.MARCOTULLI
Literature Reference Citation J.NAT.PROD.,76,1254(2013)
Literature Reference DOI 10.1021/np400114b
Molecular Weight 244.290 g/mol
Sample ID 42710
Solvent CDCl3