| SpectraBase Spectrum ID |
KKUJ9AemR49 |
| Name |
1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate |
| Alternate Name(s) |
azepine-1,2,5-tricarboxylic acid O1-ethyl ester O2,O5-dimethyl ester
O1-ethyl O2,O5-dimethyl azepine-1,2,5-tricarboxylate |
| CAS Registry Number |
81723-24-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15NO6 |
| InChI |
InChI=1S/C13H15NO6/c1-4-20-13(17)14-8-7-9(11(15)18-2)5-6-10(14)12(16)19-3/h5-8H,4H2,1-3H3 |
| InChIKey |
UOFLKIXVYCZBDS-UHFFFAOYSA-N |
| Molecular Weight |
281.264 g/mol |
| SMILES |
CCOC(=O)N1C(C(OC)=O)=CC=C(C(=O)OC)C=C1 |
| SPLASH |
splash10-0a59-0920000000-01630262fa012009c377 |
| Source of Spectrum |
I-64-1972-2 |
| Wiley ID |
1284716 |
