| SpectraBase Compound ID | KhIQlrhlQOP |
|---|---|
| InChI | InChI=1S/C8H5NO4/c10-8-7-5(4-13-8)2-1-3-6(7)9(11)12/h1-3H,4H2 |
| InChIKey | BFIGXRQYMBKAIR-UHFFFAOYSA-N |
| Mol Weight | 179.13 g/mol |
| Molecular Formula | C8H5NO4 |
| Exact Mass | 179.021858 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JPqTJ80u9pi |
|---|---|
| Name | 7-Nitroisobenzofuran-1(3H)-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H5NO4 |
| InChI | InChI=1S/C8H5NO4/c10-8-7-5(4-13-8)2-1-3-6(7)9(11)12/h1-3H,4H2 |
| InChIKey | BFIGXRQYMBKAIR-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1039/C4RA14586K |
| Molecular Weight | 179.131 g/mol |
| SMILES | c1c(c2c(cc1)COC2=O)[N+]([O-])=O |
| SPLASH | splash10-0hl1-2900000000-1919f331a2ead9f49ef3 |
| Source of Spectrum | RSA-5-7232/SM7-3x |
| Wiley ID | 1805506 |