Debug Info

object
{15}
_id
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IvW2nitwOhZ
spectrumID
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IvW2nitwOhZ
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:128583:1
hasStructureAssignments
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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compound
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1735074081058
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Petasinol
SpectraBase Compound ID 5T466hlbdxY
InChI InChI=1S/C19H28O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,15-17,20H,1,6-7,11H2,2-5H3/b9-8+/t13-,15?,16?,17+,19+,24?/m0/s1
InChIKey OVLGYAHWOSBKJJ-PWGQHYHRSA-N
Mol Weight 352.49 g/mol
Molecular Formula C19H28O4S
Exact Mass 352.170831 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvW2nitwOhZ
Name PETASINOL
Compound Number 4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28O4S
InChI InChI=1S/C19H28O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,15-17,20H,1,6-7,11H2,2-5H3/b9-8+/t13-,15?,16?,17+,19+,24?/m0/s1
InChIKey OVLGYAHWOSBKJJ-PWGQHYHRSA-N
Literature Reference Author Y.L.LIN,C.H.MEI,S.L.HUANG,Y.H.KUO
Literature Reference Citation J.NAT.PROD.,61,887(1998)
Literature Reference DOI 10.1021/np970583z
Molecular Weight 352.489 g/mol
Solvent CDCl3
Source File Reference UWMZ521
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