| SpectraBase Spectrum ID |
8DfnY8MR4lD |
| Name |
Acetic acid, (4-nitro-3-oxo-1(3H)-isobenzofuranylidene)-, ethyl ester, (E)- |
| Alternate Name(s) |
(E)-3-Ethoxycarbonylmethylidene-7-nitrophthalide
ethyl (2E)-(4-nitro-3-oxo-2-benzofuran-1(3H)-ylidene)ethanoate |
| CAS Registry Number |
83465-44-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H9NO6 |
| InChI |
InChI=1S/C12H9NO6/c1-2-18-10(14)6-9-7-4-3-5-8(13(16)17)11(7)12(15)19-9/h3-6H,2H2,1H3/b9-6+ |
| InChIKey |
PGDDULXOVLNEDV-RMKNXTFCSA-N |
| Molecular Weight |
263.205 g/mol |
| SMILES |
c12C(O\C(c2cccc1N(=O)=O)=C/C(=O)OCC)=O |
| SPLASH |
splash10-014i-0090000000-e125267dc72038f5c27d |
| Source of Spectrum |
KC-1982-1860-0 |
| Wiley ID |
1266697 |
