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1,5-Diphenyl-3,7-bis(5-nitrosalicylidenaminoethyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
SpectraBase Compound ID 7giBWSbEAPD
InChI InChI=1S/C37H36N6O7/c44-33-13-11-31(42(47)48)19-27(33)21-38-15-17-40-23-36(29-7-3-1-4-8-29)24-41(26-37(25-40,35(36)46)30-9-5-2-6-10-30)18-16-39-22-28-20-32(43(49)50)12-14-34(28)45/h1-14,19-22,44-45H,15-18,23-26H2/b38-21+,39-22+/t36-,37+
InChIKey SDLFGLQVRKORBH-VUWQEQKJSA-N
Mol Weight 676.7 g/mol
Molecular Formula C37H36N6O7
Exact Mass 676.264548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGnR85V2RZK
Name 1,5-Diphenyl-3,7-bis(5-nitrosalicylidenaminoethyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H36N6O7
InChI InChI=1S/C37H36N6O7/c44-33-13-11-31(42(47)48)19-27(33)21-38-15-17-40-23-36(29-7-3-1-4-8-29)24-41(26-37(25-40,35(36)46)30-9-5-2-6-10-30)18-16-39-22-28-20-32(43(49)50)12-14-34(28)45/h1-14,19-22,44-45H,15-18,23-26H2/b38-21+,39-22+/t36-,37+
InChIKey SDLFGLQVRKORBH-VUWQEQKJSA-N
Molecular Weight 676.730 g/mol
SMILES Oc1ccc(cc1\C=N\CCN1C[C@]2(C([C@](CN(CC\N=C\c3c(ccc(c3)N(=O)=O)O)C2)(C1)c1ccccc1)=O)c1ccccc1)N(=O)=O
SPLASH splash10-0udi-0900000000-1f201aef3d25e13042cb
Source of Spectrum F-51-2075-30
Synonyms 3,7-bis(2-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}ethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Wiley ID 791072