| SpectraBase Spectrum ID |
BNdDiJbxKsh |
| Name |
2,2,8,8,12,13,17,18-OCTAMETHYL-2,3,7,8,21,23-HEXAHYDROPORPHINE-5-CARBONITRILE |
| Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula |
C29H33N5 |
| InChI |
InChI=1S/C29H33N5/c1-15-17(3)22-10-26-28(5,6)12-24(33-26)19(14-30)25-13-29(7,8)27(34-25)11-23-18(4)16(2)21(32-23)9-20(15)31-22/h9-11,31,34H,12-13H2,1-8H3/b21-9-,25-19-,26-10-,27-11- |
| InChIKey |
CUMVIXJPWUNJPH-LFSRVCCBSA-N |
| Molecular Weight |
451.2729 |
| SMILES |
[nH]1c2CC(c1cc1c(c(c(cc3c(c(c(cc4nc(c2C#N)CC4(C)C)[nH]3)C)C)n1)C)C)(C)C |
| SPLASH |
splash10-0udr-0010900000-f50d278e6bee9850a2f4 |
| Source of Spectrum |
Chemical Concepts, A Wiley Division, Weinheim, Germany |
