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p-nitrobenzyl (5R)-7-oxo-2-(3-oxo-6-oxa-2-azatricyclo[5.4.0.0(2,5)]undec-7-en-10-ylcarbonyl)-4-oxa-1-azabicyclo[3.2.0]heptane-3-carboxylate

View entire compound with spectra: 1 MS (GC)

p-nitrobenzyl (5R)-7-oxo-2-(3-oxo-6-oxa-2-azatricyclo[5.4.0.0(2,5)]undec-7-en-10-ylcarbonyl)-4-oxa-1-azabicyclo[3.2.0]heptane-3-carboxylate
SpectraBase Compound ID BLHneJbvK1r
InChI InChI=1S/C23H21N3O9/c27-16-8-18-24(16)14-7-12(3-6-15(14)34-18)21(29)20-22(35-19-9-17(28)25(19)20)23(30)33-10-11-1-4-13(5-2-11)26(31)32/h1-2,4-6,12,14,18-20,22H,3,7-10H2/t12?,14?,18?,19-,20?,22?/m1/s1
InChIKey JMSHTWBHJNOYNB-PTJLCDJQSA-N
Mol Weight 483.43 g/mol
Molecular Formula C23H21N3O9
Exact Mass 483.127779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDxpbIiWSA7
Name p-nitrobenzyl (5R)-7-oxo-2-(3-oxo-6-oxa-2-azatricyclo[5.4.0.0(2,5)]undec-7-en-10-ylcarbonyl)-4-oxa-1-azabicyclo[3.2.0]heptane-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21N3O9
InChI InChI=1S/C23H21N3O9/c27-16-8-18-24(16)14-7-12(3-6-15(14)34-18)21(29)20-22(35-19-9-17(28)25(19)20)23(30)33-10-11-1-4-13(5-2-11)26(31)32/h1-2,4-6,12,14,18-20,22H,3,7-10H2/t12?,14?,18?,19-,20?,22?/m1/s1
InChIKey JMSHTWBHJNOYNB-PTJLCDJQSA-N
Molecular Weight 483.433 g/mol
SMILES C1(N2[C@@](OC1C(OCc1ccc(N(=O)=O)cc1)=O)([H])CC2=O)C(C1CC2N3C(=O)CC3OC2=CC1)=O
SPLASH splash10-01pc-0920200000-0e9b9560e6cf16c5d741
Source of Spectrum KC-1982-1515-0
Synonyms 4-Nitrobenzyl (5R)-7-oxo-2-[(1-oxo-2,2a,5,6,7,7a-hexahydro-1H-azeto[2,1-b][1,3]benzoxazol-6-yl)carbonyl]-4-oxa-1-azabicyclo[3.2.0]heptane-3-carboxylate
Wiley ID 1395790