| SpectraBase Compound ID | CAqCnIwi5Xs |
|---|---|
| InChI | InChI=1S/C6H5NO2/c1-6(4-7)3-2-5(8)9-6/h2-3H,1H3 |
| InChIKey | JMCCGMNHKPYMIG-UHFFFAOYSA-N |
| Mol Weight | 123.11 g/mol |
| Molecular Formula | C6H5NO2 |
| Exact Mass | 123.032028 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 340OfT8Z0d4 |
|---|---|
| Name | 2-Methyl-5-oxo-2,5-dihydrofuran-2-carbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H5NO2 |
| InChI | InChI=1S/C6H5NO2/c1-6(4-7)3-2-5(8)9-6/h2-3H,1H3 |
| InChIKey | JMCCGMNHKPYMIG-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/jccs.199700021 |
| Molecular Weight | 123.111 g/mol |
| SMILES | C1=CC(OC1=O)(C#N)C |
| SPLASH | splash10-0aor-9500000000-232fc3873e2473687499 |
| Source of Spectrum | QA-44-130-17 |
| Wiley ID | 1795053 |