| SpectraBase Spectrum ID |
H9YuD4glato |
| Name |
2-(1-Benzyloxymethyl-2-methyl-5-nitro-1H-indol-4-yl)-4-oxopentanenitrile |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21N3O4 |
| InChI |
InChI=1S/C22H21N3O4/c1-15-10-19-20(24(15)14-29-13-17-6-4-3-5-7-17)8-9-21(25(27)28)22(19)18(12-23)11-16(2)26/h3-10,18H,11,13-14H2,1-2H3 |
| InChIKey |
GMFOARMGHHNOMH-UHFFFAOYSA-N |
| Instrument Name |
AMD-604/AutoSpec Premier |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.9.107 |
| Molecular Weight |
391.427 g/mol |
| Reported Formula |
C22H21N3O4 |
| SMILES |
c12c(c(ccc2[n](c(c1)C)COCc1ccccc1)[N+]([O-])=O)C(C#N)CC(=O)C |
| SPLASH |
splash10-0006-9000000000-b5e98e30496679eac05f |
| Source of Spectrum |
BJO-9-SM12-5b |
| Wiley ID |
1865047 |
