| SpectraBase Compound ID | IGbD8u5O2ef |
|---|---|
| InChI | InChI=1S/C13H8BrNO4/c14-10-4-2-6-12(8-10)19-13(16)9-3-1-5-11(7-9)15(17)18/h1-8H |
| InChIKey | NWLKWCQDBIQXOO-UHFFFAOYSA-N |
| Mol Weight | 322.11 g/mol |
| Molecular Formula | C13H8BrNO4 |
| Exact Mass | 320.963671 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HC6ONRbx5wY |
|---|---|
| Name | 3-Nitrobenzoic acid (3-bromophenyl) ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H8BrNO4 |
| InChI | InChI=1S/C13H8BrNO4/c14-10-4-2-6-12(8-10)19-13(16)9-3-1-5-11(7-9)15(17)18/h1-8H |
| InChIKey | NWLKWCQDBIQXOO-UHFFFAOYSA-N |
| Molecular Weight | 322.114 g/mol |
| SMILES | c1(N(=O)=O)cc(C(Oc2cc(Br)ccc2)=O)ccc1 |
| SPLASH | splash10-00di-0900000000-f9d6b95235e8d108541c |
| Source of Spectrum | OS-6-161-0 |
| Wiley ID | 1320744 |