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(8R)-8-acetamido-5-(1,3-diketoisoindolin-2-yl)-9-keto-3-methyl-6-thia-1,5-diazabicyclo[5.2.0]non-2-ene-2-carboxylic acid (4-nitrobenzyl) ester

View entire compound with spectra: 1 NMR

(8R)-8-acetamido-5-(1,3-diketoisoindolin-2-yl)-9-keto-3-methyl-6-thia-1,5-diazabicyclo[5.2.0]non-2-ene-2-carboxylic acid (4-nitrobenzyl) ester
SpectraBase Compound ID 2TpJf8WmfUB
InChI InChI=1S/C25H21N5O8S/c1-13-11-27(29-21(32)17-5-3-4-6-18(17)22(29)33)39-24-19(26-14(2)31)23(34)28(24)20(13)25(35)38-12-15-7-9-16(10-8-15)30(36)37/h3-10,19,24H,11-12H2,1-2H3,(H,26,31)/t19-,24?/m1/s1
InChIKey HNXVUTYALLLZFK-PHSANKKPSA-N
Mol Weight 551.53 g/mol
Molecular Formula C25H21N5O8S
Exact Mass 551.111084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JS2JA0CQgcR
Name (8R)-8-acetamido-5-(1,3-diketoisoindolin-2-yl)-9-keto-3-methyl-6-thia-1,5-diazabicyclo[5.2.0]non-2-ene-2-carboxylic acid (4-nitrobenzyl) ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H21N5O8S
InChI InChI=1S/C25H21N5O8S/c1-13-11-27(29-21(32)17-5-3-4-6-18(17)22(29)33)39-24-19(26-14(2)31)23(34)28(24)20(13)25(35)38-12-15-7-9-16(10-8-15)30(36)37/h3-10,19,24H,11-12H2,1-2H3,(H,26,31)/t19-,24?/m1/s1
InChIKey HNXVUTYALLLZFK-PHSANKKPSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 551.530 g/mol
Source File Reference MHKO15469