| SpectraBase Compound ID | JFEjCv0736f |
|---|---|
| InChI | InChI=1S/C9H7NO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h1,4-7H,3H2 |
| InChIKey | QEXATVFEDHQPKW-UHFFFAOYSA-N |
| Mol Weight | 161.16 g/mol |
| Molecular Formula | C9H7NO2 |
| Exact Mass | 161.047678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3uAenfIoehy |
|---|---|
| Name | 1-Nitro-4-prop-2-ynyl-benzene |
| CAS Registry Number | 944896-91-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7NO2 |
| InChI | InChI=1S/C9H7NO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h1,4-7H,3H2 |
| InChIKey | QEXATVFEDHQPKW-UHFFFAOYSA-N |
| Molecular Weight | 161.160 g/mol |
| SMILES | c1(N(=O)=O)ccc(cc1)CC#C |
| SPLASH | splash10-03di-3900000000-40b4c4efc14390de3863 |
| Source of Spectrum | EP-8615-0-0 |
| Synonyms | 1-Nitro-4-propargyl-benzene |
| Wiley ID | 1157644 |