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5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, 3-[(benzoyloxy)methyl]-7-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-8-oxo-, methyl ester, [2R-(2.alpha.,6.alpha.,7.beta.)]-
SpectraBase Compound ID BE5n24b6aSZ
InChI InChI=1S/C24H18N2O7S/c1-32-24(31)17-14(11-33-23(30)13-7-3-2-4-8-13)12-34-22-18(21(29)26(17)22)25-19(27)15-9-5-6-10-16(15)20(25)28/h2-10,12,17-18,22H,11H2,1H3/t17-,18-,22-/m1/s1
InChIKey MQDNCKBGVLJYQA-JBYIUTFZSA-N
Mol Weight 478.48 g/mol
Molecular Formula C24H18N2O7S
Exact Mass 478.083472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWjol0STDlH
Name 5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, 3-[(benzoyloxy)methyl]-7-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-8-oxo-, methyl ester, [2R-(2.alpha.,6.alpha.,7.beta.)]-
Alternate Name(s) Methyl 3-benzoyloxymethyl-7-phthalimido-2-cephem-4-carboxylate
CAS Registry Number 103841-57-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18N2O7S
InChI InChI=1S/C24H18N2O7S/c1-32-24(31)17-14(11-33-23(30)13-7-3-2-4-8-13)12-34-22-18(21(29)26(17)22)25-19(27)15-9-5-6-10-16(15)20(25)28/h2-10,12,17-18,22H,11H2,1H3/t17-,18-,22-/m1/s1
InChIKey MQDNCKBGVLJYQA-JBYIUTFZSA-N
Molecular Weight 478.475 g/mol
SMILES [C@]1(N2C(c3ccccc3C2=O)=O)(C(=O)N2[C@@]1(SC=C(COC(=O)c1ccccc1)[C@@]2(C(=O)OC)[H])[H])[H]
SPLASH splash10-0a4r-0910000000-295662b9e4e7315e40a1
Source of Spectrum Y-22-1005-3
Wiley ID 1394687