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SODIUM-4,5,6,7-TETRAHYDRO-3,8-DIOXO-2,4-DIPHENYL-3H,8H,4,7A,12B-TRIAZADIBENZO-[E,G]-AZULEN-1-OLATE
SpectraBase Compound ID 5ZwgrFxPAYG
InChI InChI=1S/C27H21N3O3.Na/c31-25-20-14-7-8-15-21(20)30-24(22-16-9-17-28(22)25)29(19-12-5-2-6-13-19)26(32)23(27(30)33)18-10-3-1-4-11-18;/h1-8,10-15,33H,9,16-17H2;/q;+1/p-1
InChIKey COSFEQVDHSVZSX-UHFFFAOYSA-M
Mol Weight 457.46 g/mol
Molecular Formula C27H20N3NaO3
Exact Mass 457.140236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLpOypCL9ou
Name Sodium 4,5,6,7-tetrahydro-2,4-diphenyl-3H,8H-3,8-dioxo-4,7a,12b-triazadibenzo[e,g]azulen-1-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20N3NaO3
InChI InChI=1S/C27H21N3O3.Na/c31-25-20-14-7-8-15-21(20)30-24(22-16-9-17-28(22)25)29(19-12-5-2-6-13-19)26(32)23(27(30)33)18-10-3-1-4-11-18;/h1-8,10-15,33H,9,16-17H2;/q;+1/p-1
InChIKey COSFEQVDHSVZSX-UHFFFAOYSA-M
Molecular Weight 457.465 g/mol
SMILES [Na+].C=12N(C(=C(C(N2c2ccccc2)=O)c2ccccc2)[O-])c2c(C(N3C1CCC3)=O)cccc2
SPLASH splash10-000i-3900000000-c960775727b4dc2eaaa9
Source of Spectrum H-2005-1788-16
Synonyms sodium 2,10-dioxo-1,3-diphenyl-1,12,13,14-tetrahydro-2H,10H-pyrimido[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepin-4-olate
Wiley ID 1562650