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(+/-)-(6R,9BS)-ETHYL-8-METHYL-5-OXO-6-(THIEN-2''-YL)-2,3,5,6,9,9B-HEXAHYDROTHIAZOLO-[3',2':1,2]-PYRROLO-[3,4-B]-PYRIDINE-7-CARBOXYLATE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(+/-)-(6R,9BS)-ETHYL-8-METHYL-5-OXO-6-(THIEN-2''-YL)-2,3,5,6,9,9B-HEXAHYDROTHIAZOLO-[3',2':1,2]-PYRROLO-[3,4-B]-PYRIDINE-7-CARBOXYLATE
SpectraBase Compound ID F6KeQWwZQOt
InChI InChI=1S/C17H18N2O3S2/c1-3-22-17(21)11-9(2)18-14-13(12(11)10-5-4-7-23-10)15(20)19-6-8-24-16(14)19/h4-5,7,12,16,18H,3,6,8H2,1-2H3/t12-,16+/m1/s1
InChIKey FAAWPQLVKBIPNC-WBMJQRKESA-N
Mol Weight 362.46 g/mol
Molecular Formula C17H18N2O3S2
Exact Mass 362.075885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nUJm6vOXGt
Name (+/-)-(6R,9BS)-ETHYL-8-METHYL-5-OXO-6-(THIEN-2''-YL)-2,3,5,6,9,9B-HEXAHYDROTHIAZOLO-[3',2':1,2]-PYRROLO-[3,4-B]-PYRIDINE-7-CARBOXYLATE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N2O3S2
InChI InChI=1S/C17H18N2O3S2/c1-3-22-17(21)11-9(2)18-14-13(12(11)10-5-4-7-23-10)15(20)19-6-8-24-16(14)19/h4-5,7,12,16,18H,3,6,8H2,1-2H3/t12-,16+/m1/s1
InChIKey FAAWPQLVKBIPNC-WBMJQRKESA-N
Literature Reference Author S.MARCHALIN,K.CVOPOVA,M.KRIZ,P.BARAN,H.OULYADI,A.DAICH
Literature Reference Citation J.ORG.CHEM.,69,4227(2004)
Literature Reference DOI 10.1021/jo049706s
Molecular Weight 362.462 g/mol
Solvent DMSO-D6
Source File Reference UWVN21699