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(6R,7R)-4-Nitrobenzyl 3-methyl-7-(2-dimethylaminobenzylideneamino)-1-aza-8-oxo-5-thiabicyclo[4.2.0]octane-2-carboxylate
SpectraBase Compound ID CKatdQ3hK7d
InChI InChI=1S/C24H24N4O5S/c1-15-14-34-23-20(25-12-17-6-4-5-7-19(17)26(2)3)22(29)27(23)21(15)24(30)33-13-16-8-10-18(11-9-16)28(31)32/h4-12,20,23H,13-14H2,1-3H3/b25-12+/t20-,23-/m1/s1
InChIKey IOJAPMUETIHZKG-UXBJNILSSA-N
Mol Weight 480.54 g/mol
Molecular Formula C24H24N4O5S
Exact Mass 480.146741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HqUdOtwd7X
Name (6R,7R)-4-Nitrobenzyl 3-methyl-7-(2-dimethylaminobenzylideneamino)-1-aza-8-oxo-5-thiabicyclo[4.2.0]octane-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24N4O5S
InChI InChI=1S/C24H24N4O5S/c1-15-14-34-23-20(25-12-17-6-4-5-7-19(17)26(2)3)22(29)27(23)21(15)24(30)33-13-16-8-10-18(11-9-16)28(31)32/h4-12,20,23H,13-14H2,1-3H3/b25-12+/t20-,23-/m1/s1
InChIKey IOJAPMUETIHZKG-UXBJNILSSA-N
Molecular Weight 480.539 g/mol
SMILES C1(N2[C@@]([C@@]1(\N=C\c1c(N(C)C)cccc1)[H])(SCC(=C2C(OCc1ccc(N(=O)=O)cc1)=O)C)[H])=O
SPLASH splash10-001i-0910000000-508cb29be5be594ebd51
Source of Spectrum F-51-13353-5
Synonyms 4-Nitrobenzyl (6R,7R)-7-({(E)-[2-(dimethylamino)phenyl]methylidene}amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 4-Nitrobenzyl 3-methyl-7-(2-dimethylaminobenzylideneamino)-1-aza-5-thiabicyclo[4.2.0]octane-2-carboxylate
Wiley ID 794486