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(Z)-1-[2-DEOXY-3-O-(4-METHYLBENZOYL)-BETA-ERYTHRO-PENTOFURANOSYL]-5-(2-THIENYLMETHYLENE)-2,4-IMIDAZOLIDINEDIONE
SpectraBase Compound ID 4cdV1BbKefA
InChI InChI=1S/C21H20N2O6S/c1-12-4-6-13(7-5-12)20(26)29-16-10-18(28-17(16)11-24)23-15(19(25)22-21(23)27)9-14-3-2-8-30-14/h2-9,16-18,24H,10-11H2,1H3,(H,22,25,27)/b15-9+/t16-,17+,18+/m1/s1
InChIKey GRMMTMZEGQQLAG-FTWWOELFSA-N
Mol Weight 428.46 g/mol
Molecular Formula C21H20N2O6S
Exact Mass 428.104208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GvdQlbb55YG
Name (Z)-1-[2-DEOXY-3-O-(4-METHYLBENZOYL)-BETA-ERYTHRO-PENTOFURANOSYL]-5-(2-THIENYLMETHYLENE)-2,4-IMIDAZOLIDINEDIONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20N2O6S
InChI InChI=1S/C21H20N2O6S/c1-12-4-6-13(7-5-12)20(26)29-16-10-18(28-17(16)11-24)23-15(19(25)22-21(23)27)9-14-3-2-8-30-14/h2-9,16-18,24H,10-11H2,1H3,(H,22,25,27)/b15-9+/t16-,17+,18+/m1/s1
InChIKey GRMMTMZEGQQLAG-FTWWOELFSA-N
Literature Reference Author A.A.EL-BARBARY,A.I.KHODAIR,E.B.PEDERSEN
Literature Reference Citation J.ORG.CHEM.,58,5994(1993)
Literature Reference DOI 10.1021/jo00074a028
Molecular Weight 428.460 g/mol
Solvent DMSO-D6
Source File Reference UWSP831