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Diphenylmethyl 3-(aminocarbonyloxymethyl)-7-(dimethylaminobenzylideneamino)-1-aza-5-thiabicyclo[4.2.0]octane-2-carboxylate
SpectraBase Compound ID J8rrTia40k0
InChI InChI=1S/C31H30N4O5S/c1-34(2)24-16-10-9-15-22(24)17-33-25-28(36)35-26(23(18-39-31(32)38)19-41-29(25)35)30(37)40-27(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-17,25,27,29H,18-19H2,1-2H3,(H2,32,38)/b33-17+/t25-,29-/m1/s1
InChIKey QFRRFHFTMFFLTB-QADPOFIPSA-N
Mol Weight 570.66 g/mol
Molecular Formula C31H30N4O5S
Exact Mass 570.193691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vjqLHf9OwT
Name Diphenylmethyl 3-(aminocarbonyloxymethyl)-7-(dimethylaminobenzylideneamino)-1-aza-5-thiabicyclo[4.2.0]octane-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H30N4O5S
InChI InChI=1S/C31H30N4O5S/c1-34(2)24-16-10-9-15-22(24)17-33-25-28(36)35-26(23(18-39-31(32)38)19-41-29(25)35)30(37)40-27(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-17,25,27,29H,18-19H2,1-2H3,(H2,32,38)/b33-17+/t25-,29-/m1/s1
InChIKey QFRRFHFTMFFLTB-QADPOFIPSA-N
Molecular Weight 570.664 g/mol
SMILES NC(OCC1=C(N2C(=O)[C@]([C@]2(SC1)[H])(\N=C\c1c(N(C)C)cccc1)[H])C(OC(c1ccccc1)c1ccccc1)=O)=O
SPLASH splash10-0apl-5900000000-b9f3097eebcb223f38a2
Source of Spectrum F-51-13352-5
Synonyms (6R,7R)-Diphenylmethyl 3-(aminocarbonyloxymethyl)-7-(dimethylaminobenzylideneamino)-8-oxo-1-aza-5-thia-bicyclo[4.2.0]oct-2-ene-2-carboxylate
Wiley ID 794488