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UGPHPBYELLZSNP-XCVCLJGOSA-N
SpectraBase Compound ID HtgevMjhp51
InChI InChI=1S/C16H17N3O4S/c1-12-4-6-13(7-5-12)24(21,22)19-11-8-14(16(20)23-2)15(19)18-10-3-9-17/h3-7,10,18H,8,11H2,1-2H3/b10-3+
InChIKey UGPHPBYELLZSNP-XCVCLJGOSA-N
Mol Weight 347.39 g/mol
Molecular Formula C16H17N3O4S
Exact Mass 347.093977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EaVPdGMNRzi
Name 2-(2-CYANOVINYLAMINO)-4,5-DIHYDRO-1-(4-METHYLPHENYLSULFONYL)-3-PYRROLO-CARBOXYLIC-ACID,METHYLESTER
CAS Registry Number 115483-85-7
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17N3O4S
InChI InChI=1S/C16H17N3O4S/c1-12-4-6-13(7-5-12)24(21,22)19-11-8-14(16(20)23-2)15(19)18-10-3-9-17/h3-7,10,18H,8,11H2,1-2H3/b10-3+
InChIKey UGPHPBYELLZSNP-XCVCLJGOSA-N
Literature Reference Author H.WAMHOFF,F.J.FASSBENDER,M.NIEGER
Literature Reference Citation CHEM.BER.,121,2157(1988)
Literature Reference DOI 10.1002/cber.19881211214
Molecular Weight 347.389 g/mol
Solvent CDCl3
Source File Reference UWGB1705