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KPXYBPZIKIVAJM-UHFFFAOYSA-N
SpectraBase Compound ID IWOmbGK6EMU
InChI InChI=1S/C21H23N3O2S/c1-3-27-19(11-22)15-10-18-20-14(13-6-4-5-7-17(13)23-20)8-9-24(18)12-16(15)21(25)26-2/h4-7,12,15,18-19,23H,3,8-10H2,1-2H3
InChIKey KPXYBPZIKIVAJM-UHFFFAOYSA-N
Mol Weight 381.49 g/mol
Molecular Formula C21H23N3O2S
Exact Mass 381.151098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LSd0Ovhlf7G
Name KPXYBPZIKIVAJM-UHFFFAOYSA-N
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23N3O2S
InChI InChI=1S/C21H23N3O2S/c1-3-27-19(11-22)15-10-18-20-14(13-6-4-5-7-17(13)23-20)8-9-24(18)12-16(15)21(25)26-2/h4-7,12,15,18-19,23H,3,8-10H2,1-2H3
InChIKey KPXYBPZIKIVAJM-UHFFFAOYSA-N
Literature Reference Author E.WENKERT,P.D.R.MOELLER,Y.J.SHI
Literature Reference Citation J.ORG.CHEM.,53,2383(1988)
Literature Reference DOI 10.1021/jo00245a054
Molecular Weight 381.493 g/mol
Solvent CDCl3
Source File Reference UNIW20771