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SIMPLEXTONE_C

View entire compound with spectra: 1 NMR

SIMPLEXTONE_C
SpectraBase Compound ID Fk6c1iDjv6f
InChI InChI=1S/C18H30O4/c1-5-8-9-13-11-17(21,6-2)16(12(13)4)18(7-3)14(19)10-15(20)22-18/h8-9,12-14,16,19,21H,5-7,10-11H2,1-4H3/b9-8+/t12-,13+,14+,16+,17-,18-/m1/s1
InChIKey VUYLBQKFSMHJLC-SZMVJDQQSA-N
Mol Weight 310.43 g/mol
Molecular Formula C18H30O4
Exact Mass 310.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J8j83N8Pvl9
Name SIMPLEXTONE_C
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H30O4
InChI InChI=1S/C18H30O4/c1-5-8-9-13-11-17(21,6-2)16(12(13)4)18(7-3)14(19)10-15(20)22-18/h8-9,12-14,16,19,21H,5-7,10-11H2,1-4H3/b9-8+/t12-,13+,14+,16+,17-,18-/m1/s1
InChIKey VUYLBQKFSMHJLC-SZMVJDQQSA-N
Literature Reference Author J.ZHANG,X.TANG,J.LI,P.LI,N.J.DEVOOGD,X.NI,X.JIN,X.YAO,P.LI,G .LI
Literature Reference Citation J.NAT.PROD.,76,600(2013)
Literature Reference DOI 10.1021/np300771p
Molecular Weight 310.434 g/mol
Sample ID 42375
Solvent DMSO-D6_OR_CDCl3