| SpectraBase Compound ID | 1QerOcDOH34 |
|---|---|
| InChI | InChI=1S/C10H5NO2/c1-3-8-5-6-9(4-2)10(7-8)11(12)13/h1-2,5-7H |
| InChIKey | CWBMRLUVZIIYHK-UHFFFAOYSA-N |
| Mol Weight | 171.15 g/mol |
| Molecular Formula | C10H5NO2 |
| Exact Mass | 171.032028 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KFg31bHQorZ |
|---|---|
| Name | 1,4-Diethynyl-2-nitrobenzene |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H5NO2 |
| InChI | InChI=1S/C10H5NO2/c1-3-8-5-6-9(4-2)10(7-8)11(12)13/h1-2,5-7H |
| InChIKey | CWBMRLUVZIIYHK-UHFFFAOYSA-N |
| Molecular Weight | 171.155 g/mol |
| SMILES | c1(c(cc(cc1)C#C)N(=O)=O)C#C |
| SPLASH | splash10-00di-0900000000-ca4c340cdd8d0bbe1318 |
| Source of Spectrum | K1-0-3819-20 |
| Wiley ID | 1589347 |