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8,14-dioxa-11,16-diazatetracyclo[7.7.0.0(2,7).0(11,15)]hexadeca-1(9),2(7),3,5,15-pentaen-10-one
SpectraBase Compound ID 3A1GSuAHZPF
InChI InChI=1S/C12H8N2O3/c15-11-10-9(13-12-14(11)5-6-16-12)7-3-1-2-4-8(7)17-10/h1-4H,5-6H2
InChIKey RADOOSOZRMVGLR-UHFFFAOYSA-N
Mol Weight 228.21 g/mol
Molecular Formula C12H8N2O3
Exact Mass 228.053492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5ljHcMhVdA
Name 8,14-dioxa-11,16-diazatetracyclo[7.7.0.0(2,7).0(11,15)]hexadeca-1(9),2(7),3,5,15-pentaen-10-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N2O3
InChI InChI=1S/C12H8N2O3/c15-11-10-9(13-12-14(11)5-6-16-12)7-3-1-2-4-8(7)17-10/h1-4H,5-6H2
InChIKey RADOOSOZRMVGLR-UHFFFAOYSA-N
Instrument Name Finnigan Trace MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4160
Molecular Weight 228.207 g/mol
SMILES c1cc2c(cc1)c1c(o2)C(N2C(=N1)OCC2)=O
SPLASH splash10-0fc9-1930000000-b4eb6aa3d745e6dd628d
Source of Spectrum Y-58-209-5b
Wiley ID 1879289