| SpectraBase Spectrum ID |
J5ayOwCvb5L |
| Name |
1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methyl]- |
| CAS Registry Number |
85164-41-6 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H10N2O6 |
| InChI |
InChI=1S/C15H10N2O6/c18-15-13-8-11(17(21)22)5-6-12(13)14(23-15)7-9-1-3-10(4-2-9)16(19)20/h1-6,8,14H,7H2 |
| InChIKey |
KGDGFMJUDPSKIL-UHFFFAOYSA-N |
| Molecular Weight |
314.253 g/mol |
| SMILES |
C1(c2c(ccc(N(=O)=O)c2)C(O1)Cc1ccc(N(=O)=O)cc1)=O |
| SPLASH |
splash10-004i-0900000000-72da8713f981845c79d6 |
| Source of Spectrum |
KC-1982-2825-0 |
| Synonyms |
3-(4-Nitrophenylmethyl)-6-nitroisobenzofuran-1(3H)-one
6-Nitro-3-(4-nitrobenzyl)-2-benzofuran-1(3H)-one |
| Wiley ID |
1314776 |
![1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methyl]-](/api/spectrum/J5ayOwCvb5L/structure.png?h=300&w=458 "1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methyl]-")
