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2-amino-5-(1,3-benzodioxol-5-yl)-4,4-diphenyl-3-pyrrolecarbonitrile
SpectraBase Compound ID 7nmlxROEu77
InChI InChI=1S/C24H17N3O2/c25-14-19-23(26)27-22(16-11-12-20-21(13-16)29-15-28-20)24(19,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13H,15,26H2
InChIKey CIMRTFWFIPIREV-UHFFFAOYSA-N
Mol Weight 379.42 g/mol
Molecular Formula C24H17N3O2
Exact Mass 379.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FThaRinmchN
Name 2-amino-5-(1,3-benzodioxol-5-yl)-4,4-diphenyl-3-pyrrolecarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C24H17N3O2
InChI InChI=1S/C24H17N3O2/c25-14-19-23(26)27-22(16-11-12-20-21(13-16)29-15-28-20)24(19,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13H,15,26H2
InChIKey CIMRTFWFIPIREV-UHFFFAOYSA-N
Molecular Weight 379.419 g/mol
SMILES NC=1N=C(C(C1C#N)(c1ccccc1)c1ccccc1)c1cc2OCOc2cc1
SPLASH splash10-0059-0029000000-3a7a8e000c07be7621c6
Source of Spectrum K-2001-2838-3
Synonyms 2-amino-5-(1,3-benzodioxol-5-yl)-4,4-diphenyl-pyrrole-3-carbonitrile 2-azanyl-5-(1,3-benzodioxol-5-yl)-4,4-diphenyl-pyrrole-3-carbonitrile
Wiley ID 1579947