| SpectraBase Spectrum ID |
4pmZaO9cXja |
| Name |
2-(1-Benzyloxymethyl-2-methyl-5-nitro-1H-indol-4-yl)-5,5-dimethyl-4-oxohexanenitrile |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H27N3O4 |
| InChI |
InChI=1S/C25H27N3O4/c1-17-12-20-21(27(17)16-32-15-18-8-6-5-7-9-18)10-11-22(28(30)31)24(20)19(14-26)13-23(29)25(2,3)4/h5-12,19H,13,15-16H2,1-4H3 |
| InChIKey |
GTEKBTYKPTVZAD-UHFFFAOYSA-N |
| Instrument Name |
AMD-604/AutoSpec Premier |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.9.107 |
| Molecular Weight |
433.508 g/mol |
| Reported Formula |
C25H27N3O4 |
| SMILES |
c12c(c(ccc2[n](c(c1)C)COCc1ccccc1)[N+]([O-])=O)C(C#N)CC(=O)C(C)(C)C |
| SPLASH |
splash10-0006-9011000000-5e04335f8e8b26649831 |
| Source of Spectrum |
BJO-9-SM16-5c |
| Wiley ID |
1865048 |
