| SpectraBase Spectrum ID |
BdBSXuohZpf |
| Name |
2-(1-Benzyloxymethyl-2-methyl-5-nitro-1H-indol-4-yl)-4-oxo-4-phenylbutyronitrile |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H23N3O4 |
| InChI |
InChI=1S/C27H23N3O4/c1-19-14-23-24(29(19)18-34-17-20-8-4-2-5-9-20)12-13-25(30(32)33)27(23)22(16-28)15-26(31)21-10-6-3-7-11-21/h2-14,22H,15,17-18H2,1H3 |
| InChIKey |
FBHTVTORAASUNR-UHFFFAOYSA-N |
| Instrument Name |
AMD-604/AutoSpec Premier |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.9.107 |
| Molecular Weight |
453.498 g/mol |
| Reported Formula |
C27H23N3O4 |
| SMILES |
c12c(c(ccc2[n](c(c1)C)COCc1ccccc1)[N+]([O-])=O)C(C#N)CC(c1ccccc1)=O |
| SPLASH |
splash10-0006-9312500000-fbe00db86e2ef3aeb24c |
| Source of Spectrum |
BJO-9-SM20-5d |
| Wiley ID |
1865049 |
