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2-(1,3-dibenzyl-1,3-diazinan-2-yl)-4-nitrophenol
SpectraBase Compound ID LgwNvTqqPt1
InChI InChI=1S/C24H25N3O3/c28-23-13-12-21(27(29)30)16-22(23)24-25(17-19-8-3-1-4-9-19)14-7-15-26(24)18-20-10-5-2-6-11-20/h1-6,8-13,16,24,28H,7,14-15,17-18H2
InChIKey LYJQWKKEMHCPTI-UHFFFAOYSA-N
Mol Weight 403.48 g/mol
Molecular Formula C24H25N3O3
Exact Mass 403.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iu5qN9BRyYJ
Name 2-(1,3-dibenzyl-1,3-diazinan-2-yl)-4-nitrophenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25N3O3
InChI InChI=1S/C24H25N3O3/c28-23-13-12-21(27(29)30)16-22(23)24-25(17-19-8-3-1-4-9-19)14-7-15-26(24)18-20-10-5-2-6-11-20/h1-6,8-13,16,24,28H,7,14-15,17-18H2
InChIKey LYJQWKKEMHCPTI-UHFFFAOYSA-N
Molecular Weight 403.482 g/mol
SMILES Oc1c(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc(N(=O)=O)cc1
SPLASH splash10-00kf-9471000000-6db569e123f51c5ecd47
Synonyms 2-[(2S)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium-2-yl]-4-nitro-phenolate 2-[(2S)-1,3-dibenzyl-1,3-diazinan-1-ium-2-yl]-4-nitrophenolate 2-[(2S)-1,3-dibenzylhexahydropyrimidin-1-ium-2-yl]-4-nitro-phenolate 2-[1,3-bis(phenylmethyl)-1,3-diazinan-2-yl]-4-nitro-phenol 2-[1,3-bis(phenylmethyl)-1,3-diazinan-2-yl]-4-nitrophenol
Wiley ID 1455115