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(phenylmethyl) 9-aminocarbonyl-9-oxidanyl-2,10-bis(oxidanylidene)-5,11-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxylate

View entire compound with spectra: 1 MS (GC)

(phenylmethyl) 9-aminocarbonyl-9-oxidanyl-2,10-bis(oxidanylidene)-5,11-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxylate
SpectraBase Compound ID lzfnh01avg
InChI InChI=1S/C23H25N3O6/c24-20(28)23(31)12-6-13-26(22(30)32-15-16-7-2-1-3-8-16)14-11-19(27)17-9-4-5-10-18(17)25-21(23)29/h1-5,7-10,31H,6,11-15H2,(H2,24,28)(H,25,29)
InChIKey LVOGSBXDUROIAV-UHFFFAOYSA-N
Mol Weight 439.47 g/mol
Molecular Formula C23H25N3O6
Exact Mass 439.174336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bpn3lcaUbVT
Name (phenylmethyl) 9-aminocarbonyl-9-oxidanyl-2,10-bis(oxidanylidene)-5,11-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxylate
CAS Registry Number 114476-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N3O6
InChI InChI=1S/C23H25N3O6/c24-20(28)23(31)12-6-13-26(22(30)32-15-16-7-2-1-3-8-16)14-11-19(27)17-9-4-5-10-18(17)25-21(23)29/h1-5,7-10,31H,6,11-15H2,(H2,24,28)(H,25,29)
InChIKey LVOGSBXDUROIAV-UHFFFAOYSA-N
Molecular Weight 439.468 g/mol
SMILES N1c2c(C(CCN(CCCC(C1=O)(C(=O)N)O)C(OCc1ccccc1)=O)=O)cccc2
SPLASH splash10-0006-9201000000-e86ab69049029ea999df
Source of Spectrum F-43-3743-49
Synonyms 9-carbamoyl-9-hydroxy-2,10-diketo-5,11-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxylic acid benzyl ester 9-carbamoyl-9-hydroxy-2,10-dioxo-5,11-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxylic acid (phenylmethyl) ester benzyl 9-carbamoyl-9-hydroxy-2,10-dioxo-5,11-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxylate
Wiley ID 1384412