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N-METHYLWELWITINDOLINONE-C-ISOTHIOCYANATE

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N-METHYLWELWITINDOLINONE-C-ISOTHIOCYANATE
SpectraBase Compound ID L1shzV1FmVb
InChI InChI=1S/C22H21ClN2O2S/c1-6-21(4)15(23)10-13-18(26)22(21,24-11-28)12-8-7-9-14-16(12)17(20(13,2)3)19(27)25(14)5/h6-10,13,17H,1H2,2-5H3/t13-,17+,21+,22+/m0/s1
InChIKey ULCGNHFUBLOLRR-YLBNWIERSA-N
Mol Weight 412.94 g/mol
Molecular Formula C22H21ClN2O2S
Exact Mass 412.101227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3WY6jrszwsN
Name N-METHYLWELWITINDOLINONE-C-ISOTHIOCYANATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21ClN2O2S
InChI InChI=1S/C22H21ClN2O2S/c1-6-21(4)15(23)10-13-18(26)22(21,24-11-28)12-8-7-9-14-16(12)17(20(13,2)3)19(27)25(14)5/h6-10,13,17H,1H2,2-5H3/t13-,17+,21+,22+/m0/s1
InChIKey ULCGNHFUBLOLRR-YLBNWIERSA-N
Literature Reference Author K.STRATMAN,R.E.MOORE,R.BONJOUKLIAN,J.B.DEETER,G.M.L.PATTERSO N,S.SHAFFER,C.D.SMIT
Literature Reference Citation J.AM.CHEM.SOC.,116,9935(1994)
Literature Reference DOI 10.1021/ja00101a015
Molecular Weight 412.934 g/mol
Solvent CDCl3
Source File Reference UWSI172