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PETASINONE-D
SpectraBase Compound ID Kwc3MYEf33B
InChI InChI=1S/C19H26O3S/c1-12(2)15-11-19(4)13(3)17(22-18(21)8-9-23-5)7-6-14(19)10-16(15)20/h8-10,13,17H,6-7,11H2,1-5H3/b9-8+/t13-,17+,19+/m0/s1
InChIKey YGBHBIXCSYCCOR-IJIKXCSASA-N
Mol Weight 334.47 g/mol
Molecular Formula C19H26O3S
Exact Mass 334.160266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4d8kcNsETf
Name PETASINONE-D
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H26O3S
InChI InChI=1S/C19H26O3S/c1-12(2)15-11-19(4)13(3)17(22-18(21)8-9-23-5)7-6-14(19)10-16(15)20/h8-10,13,17H,6-7,11H2,1-5H3/b9-8+/t13-,17+,19+/m0/s1
InChIKey YGBHBIXCSYCCOR-IJIKXCSASA-N
Literature Reference Author Y.L.LIN,J.C.OU,C.F.CHRN,Y.H.KUO
Literature Reference Citation CHEM.PHARM.BULL.,46,1807(1998)
Literature Reference DOI 10.1248/cpb.46.1807
Molecular Weight 334.474 g/mol
Solvent CDCl3
Source File Reference UWMS20872