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(6R,7R)-4-Nitrobenzyl 3-methyl-7-(2-methoxybenzylideneamino)-1-aza-5-thia-8-oxobicyclo[4.2.0]oct-2-ene-2-carboxylate
SpectraBase Compound ID 4mhwDluUG2q
InChI InChI=1S/C23H21N3O6S/c1-14-13-33-22-19(24-11-16-5-3-4-6-18(16)31-2)21(27)25(22)20(14)23(28)32-12-15-7-9-17(10-8-15)26(29)30/h3-11,19,22H,12-13H2,1-2H3/b24-11+/t19-,22-/m1/s1
InChIKey JYAGSVWZVJJNRE-YVECZINYSA-N
Mol Weight 467.5 g/mol
Molecular Formula C23H21N3O6S
Exact Mass 467.115107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pmhDQYD0nc
Name (6R,7R)-4-Nitrobenzyl 3-methyl-7-(2-methoxybenzylideneamino)-1-aza-5-thia-8-oxobicyclo[4.2.0]oct-2-ene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21N3O6S
InChI InChI=1S/C23H21N3O6S/c1-14-13-33-22-19(24-11-16-5-3-4-6-18(16)31-2)21(27)25(22)20(14)23(28)32-12-15-7-9-17(10-8-15)26(29)30/h3-11,19,22H,12-13H2,1-2H3/b24-11+/t19-,22-/m1/s1
InChIKey JYAGSVWZVJJNRE-YVECZINYSA-N
Molecular Weight 467.496 g/mol
SMILES C1(N2[C@@]([C@@]1(\N=C\c1c(OC)cccc1)[H])(SCC(=C2C(OCc1ccc(N(=O)=O)cc1)=O)C)[H])=O
SPLASH splash10-03dl-0910000000-b9e2f0229a323fc1c57e
Source of Spectrum F-51-13352-5
Synonyms 4-Nitrobenzyl (6R,7R)-7-{[(E)-(2-methoxyphenyl)methylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 4-Nitrobenzyl 3-methyl-7-(2-methoxybenzylideneamino)-1-aza-5-thiabicyclo[4.2.0]octane-2-carboxylate
Wiley ID 794487