| SpectraBase Spectrum ID |
7oVnCjXnQdQ |
| Name |
3-(1-benzyloxymethyl-2-methyl-5-nitro-1H-indol-4-yl)-3-cyanopropionic acid ethyl ester |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H23N3O5 |
| InChI |
InChI=1S/C23H23N3O5/c1-3-31-22(27)12-18(13-24)23-19-11-16(2)25(20(19)9-10-21(23)26(28)29)15-30-14-17-7-5-4-6-8-17/h4-11,18H,3,12,14-15H2,1-2H3 |
| InChIKey |
IZABROFIYVEHFL-UHFFFAOYSA-N |
| Instrument Name |
AMD-604/AutoSpec Premier |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.9.107 |
| Molecular Weight |
421.453 g/mol |
| Reported Formula |
C23H23N3O5 |
| SMILES |
c12c(c(ccc2[n](c(c1)C)COCc1ccccc1)[N+]([O-])=O)C(C#N)CC(OCC)=O |
| SPLASH |
splash10-0006-9002200000-81ad1b15c79622d30655 |
| Source of Spectrum |
BJO-9-SM8-5a |
| Wiley ID |
1865046 |
