| SpectraBase Spectrum ID |
1PV6FHjxYG |
| Name |
all-alpha-Sexideci(N-methylpyrrole) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C80H82N16 |
| InChI |
InChI=1S/C80H82N16/c1-81-49-17-19-51(81)53-21-23-55(83(53)3)57-25-27-59(85(57)5)61-29-31-63(87(61)7)65-33-35-67(89(65)9)69-37-39-71(91(69)11)73-41-43-75(93(73)13)77-45-47-79(95(77)15)80-48-46-78(96(80)16)76-44-42-74(94(76)14)72-40-38-70(92(72)12)68-36-34-66(90(68)10)64-32-30-62(88(64)8)60-28-26-58(86(60)6)56-24-22-54(84(56)4)52-20-18-50-82(52)2/h17-50H,1-16H3 |
| InChIKey |
HBZPDVMPNGWMJU-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/cber.19811141120 |
| Molecular Weight |
1267.648 g/mol |
| SMILES |
c1cc([n](c1-c1[n](c(cc1)-c1[n](ccc1)C)C)C)-c1[n](C)c(cc1)-c1[n](C)c(cc1)-c1ccc([n]1C)-c1[n](c(cc1)-c1[n](c(cc1)-c1ccc([n]1C)-c1[n](c(cc1)-c1[n](c(cc1)-c1[n](c(cc1)-c1[n](c(cc1)-c1[n](c(cc1)-c1[n](c(cc1)-c1[n](ccc1)C)C)C)C)C)C)C)C)C |
| SPLASH |
splash10-014i-9461110000-b679db0e4ab13478a448 |
| Source of Spectrum |
K-114-3682-8 |
| Wiley ID |
1792849 |
