John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FS7pzQfaOOq SpectraBase Spectrum ID=2bROkNjUvyv

(accessed ).
(3A-ALPHA,11B-ALPHA,12A-ALPHA)-1,2,3,3A,4,6,7,11B,12,12A-DECYHYDRO-9-METHOXY-1-(METHYLSULFONYL)-4-OXOBENZO-[A]-PYRROLO-[3,2-G]-QUINOLIZINE
SpectraBase Compound ID FS7pzQfaOOq
InChI InChI=1S/C17H22N2O4S/c1-23-12-3-4-13-11(9-12)5-7-18-15(13)10-16-14(17(18)20)6-8-19(16)24(2,21)22/h3-4,9,14-16H,5-8,10H2,1-2H3/t14-,15-,16-/m0/s1
InChIKey JAQLDSMGXCBEIJ-JYJNAYRXSA-N
Mol Weight 350.43 g/mol
Molecular Formula C17H22N2O4S
Exact Mass 350.130029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bROkNjUvyv
Name (3A-ALPHA,11B-ALPHA,12A-ALPHA)-1,2,3,3A,4,6,7,11B,12,12A-DECYHYDRO-9-METHOXY-1-(METHYLSULFONYL)-4-OXOBENZO-[A]-PYRROLO-[3,2-G]-QUINOLIZINE
Compound Number 11
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N2O4S
InChI InChI=1S/C17H22N2O4S/c1-23-12-3-4-13-11(9-12)5-7-18-15(13)10-16-14(17(18)20)6-8-19(16)24(2,21)22/h3-4,9,14-16H,5-8,10H2,1-2H3/t14-,15-,16-/m0/s1
InChIKey JAQLDSMGXCBEIJ-JYJNAYRXSA-N
Literature Reference Author R.D.CLARK,J.T.NELSON,D.B.REPKE
Literature Reference Citation J.HETCYCL.CHEM.,30,829(1993)
Literature Reference DOI 10.1002/jhet.5570300338
Molecular Weight 350.433 g/mol
Solvent Unknown
Source File Reference UWGE734
SpectraBase Batch ID IcZSrs6CPdq