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Santonin

View entire compound with spectra: 8 NMR, 3 FTIR, 1 Raman, 1 UV-Vis, and 1 MS (GC)

Santonin
SpectraBase Compound ID Jieimlulr03
InChI InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
InChIKey XJHDMGJURBVLLE-BOCCBSBMSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JFJwoz0JOC
Name 6alpha-HYDROXY-3-OXOEUDESMA-1,4-DIEN-12-OIC ACID, gamma-LACTONE
Source of Sample P. S. Pregosin, E. W. Randall J. Chem. Soc. Perkin Trans. I, 1972, 299
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
InChIKey XJHDMGJURBVLLE-BOCCBSBMSA-N
Molecular Weight 246.31
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker HX-90