SpectraBase Spectrum ID |
5XvkRz96FYO |
Name |
12-(4-Methylphenyl)-2,10,12-triazatricyclo[11,4.0.1(3,11).0(4,9)]hexadecahexaene |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H19N3 |
InChI |
InChI=1S/C21H19N3/c1-14-10-12-15(13-11-14)24-20-16-6-2-4-8-18(16)22-21(24)17-7-3-5-9-19(17)23-20/h2-13,20-23H,1H3/t20-,21-/m1/s1 |
InChIKey |
PIUFLHXHZYJKFH-NHCUHLMSSA-N |
Molecular Weight |
313.404 g/mol |
SMILES |
N1c2c([C@]3(N([C@@]1(c1ccccc1N3)[H])c1ccc(cc1)C)[H])cccc2 |
SPLASH |
splash10-03di-0009000000-f92e9ec097012909e3f3 |
Source of Spectrum |
AT-32-2524-9 |
Synonyms |
17-(4-methylphenyl)-8,16,17-triazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaene |
Wiley ID |
835898 |