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3-Phenyl-2-azatriptycene
SpectraBase Compound ID CNDCtpF49b6
InChI InChI=1S/C25H17N/c1-2-8-16(9-3-1)23-14-21-22(15-26-23)25-19-12-6-4-10-17(19)24(21)18-11-5-7-13-20(18)25/h1-15,24-25H/t24-,25+
InChIKey SRMLCRTZDCYKGC-PLQXJYEYSA-N
Mol Weight 331.42 g/mol
Molecular Formula C25H17N
Exact Mass 331.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bzKDAQhiJP
Name 3-Phenyl-2-azatriptycene
Alternate Name(s) 5-Phenyl-4-azapentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene
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Formula C25H17N
InChI InChI=1S/C25H17N/c1-2-8-16(9-3-1)23-14-21-22(15-26-23)25-19-12-6-4-10-17(19)24(21)18-11-5-7-13-20(18)25/h1-15,24-25H/t24-,25+
InChIKey SRMLCRTZDCYKGC-PLQXJYEYSA-N
Molecular Weight 331.418 g/mol
SMILES [C@]12(c3c(cnc(c3)-c3ccccc3)[C@](c3c2cccc3)(c2c1cccc2)[H])[H]
SPLASH splash10-001i-0129000000-d40f9b122cd940d82c25
Source of Spectrum HC-17-1053-0
Wiley ID 1328932