| SpectraBase Compound ID | 1rHSWN8S38D |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-3-13-8(2)11(14)9-5-4-6-10-12(9)16-7-15-10/h4-6,8,13H,3,7H2,1-2H3 |
| InChIKey | QJADLMNXVWSLDV-UHFFFAOYSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C12H15NO3 |
| Exact Mass | 221.105193 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4DEsbGAHd3r |
|---|---|
| Name | 2,3-Ethylone isomer |
| Catalog Number | 9002142 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H15NO3 |
| InChI | InChI=1S/C12H15NO3/c1-3-13-8(2)11(14)9-5-4-6-10-12(9)16-7-15-10/h4-6,8,13H,3,7H2,1-2H3 |
| InChIKey | QJADLMNXVWSLDV-UHFFFAOYSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | N(C(C(c1cccc2c1OCO2)=O)C)CC |
| SPLASH | splash10-00di-9100000000-5038a71aa5986e242deb |
| Source of Spectrum | CAY-2023-1321-0 |
| Wiley ID | 1889258 |