| SpectraBase Compound ID | 3gt1mNCfA7k |
|---|---|
| InChI | InChI=1S/C8H5NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6H |
| InChIKey | JOUOQPWPDONKKS-UHFFFAOYSA-N |
| Mol Weight | 147.13 g/mol |
| Molecular Formula | C8H5NO2 |
| Exact Mass | 147.032028 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BSFaqLZF8tc |
|---|---|
| Name | 1-Ethynyl-3-nitrobenzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H5NO2 |
| InChI | InChI=1S/C8H5NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6H |
| InChIKey | JOUOQPWPDONKKS-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/anie.201409859 |
| Molecular Weight | 147.133 g/mol |
| SMILES | c1cc(C#C)cc(c1)[N+](=O)[O-] |
| SPLASH | splash10-0f6t-2900000000-ab02027a9dc0a7a97d62 |
| Source of Spectrum | ACI-54-1666/SMS23-S8f |
| Wiley ID | 1761117 |