| SpectraBase Spectrum ID |
B27MB2SboCu |
| Name |
2-(1-Benzyloxymethyl-2-methyl-5-nitro-1H-indol-4-yl)-5-phenylpent-4-enenitrile |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H25N3O3 |
| InChI |
InChI=1S/C28H25N3O3/c1-21-17-25-26(30(21)20-34-19-23-11-6-3-7-12-23)15-16-27(31(32)33)28(25)24(18-29)14-8-13-22-9-4-2-5-10-22/h2-13,15-17,24H,14,19-20H2,1H3/b13-8+ |
| InChIKey |
GLTACRCIGGDJQD-MDWZMJQESA-N |
| Instrument Name |
AMD-604/AutoSpec Premier |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.9.107 |
| Molecular Weight |
451.526 g/mol |
| Reported Formula |
C28H25N3O3 |
| SMILES |
c12c(c(ccc2[n](c(c1)C)COCc1ccccc1)[N+]([O-])=O)C(C#N)C\C=C\c1ccccc1 |
| SPLASH |
splash10-0006-9501200000-732ddaf6759462dd3c87 |
| Source of Spectrum |
BJO-9-SM32-5g |
| Wiley ID |
1865051 |
