| SpectraBase Compound ID | 9jYxxq8V0kK |
|---|---|
| InChI | InChI=1S/C9H7NO3/c11-9-12-8(10-13-9)6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | FHXQDZFSFDWUQG-UHFFFAOYSA-N |
| Mol Weight | 177.16 g/mol |
| Molecular Formula | C9H7NO3 |
| Exact Mass | 177.042593 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3n2Kjg7VEqg |
|---|---|
| Name | 3-Benzyl-1,4,2-dioxazol-5-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7NO3 |
| InChI | InChI=1S/C9H7NO3/c11-9-12-8(10-13-9)6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | FHXQDZFSFDWUQG-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/anie.201310790 |
| Molecular Weight | 177.159 g/mol |
| SMILES | C(C1=NOC(=O)O1)c1ccccc1 |
| SPLASH | splash10-004l-8900000000-e4d9476c9f583cb6b15b |
| Source of Spectrum | ACI-53-SMS4-1c |
| Wiley ID | 1782138 |