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NTXPSJMQXLUBRE-NSHDSACASA-N
SpectraBase Compound ID 5IesnNemSHN
InChI InChI=1S/C16H18BrN3OS/c1-18-11(8-22-3)16-15-9(6-7-19-16)13-10(20-15)4-5-12(21-2)14(13)17/h4-7,11,18,20H,8H2,1-3H3/t11-/m0/s1
InChIKey NTXPSJMQXLUBRE-NSHDSACASA-N
Mol Weight 380.3 g/mol
Molecular Formula C16H18BrN3OS
Exact Mass 379.035396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ApRwzJiJwvv
Name NTXPSJMQXLUBRE-NSHDSACASA-N
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18BrN3OS
InChI InChI=1S/C16H18BrN3OS/c1-18-11(8-22-3)16-15-9(6-7-19-16)13-10(20-15)4-5-12(21-2)14(13)17/h4-7,11,18,20H,8H2,1-3H3/t11-/m0/s1
InChIKey NTXPSJMQXLUBRE-NSHDSACASA-N
Literature Reference Author J.KOBAYASHI,J.F.CHENG,T.OHTA,S.NOZOE,Y.OHIZUMI,T.SASAKI
Literature Reference Citation J.ORG.CHEM.,55,3666(1990)
Literature Reference DOI 10.1021/jo00298a056
Molecular Weight 380.302 g/mol
Solvent CDCl3
Source File Reference UWED11445