| SpectraBase Compound ID | CIk8ZEQTRi3 |
|---|---|
| InChI | InChI=1S/C21H29FN2O3/c1-4-27-21(26)19(15(2)3)23-20(25)17-14-24(13-9-5-8-12-22)18-11-7-6-10-16(17)18/h6-7,10-11,14-15,19H,4-5,8-9,12-13H2,1-3H3,(H,23,25)/t19-/m0/s1 |
| InChIKey | WPRKGJGOLPGBMG-IBGZPJMESA-N |
| Mol Weight | 376.47 g/mol |
| Molecular Formula | C21H29FN2O3 |
| Exact Mass | 376.216221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3gd7CS5PEkq |
|---|---|
| Name | 5-fluoro EMB-PICA |
| Catalog Number | 30769 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29FN2O3 |
| InChI | InChI=1S/C21H29FN2O3/c1-4-27-21(26)19(15(2)3)23-20(25)17-14-24(13-9-5-8-12-22)18-11-7-6-10-16(17)18/h6-7,10-11,14-15,19H,4-5,8-9,12-13H2,1-3H3,(H,23,25)/t19-/m0/s1 |
| InChIKey | WPRKGJGOLPGBMG-IBGZPJMESA-N |
| Molecular Weight | 376.472 g/mol |
| SMILES | N(C(=O)c1c[n](CCCCCF)c2c1cccc2)[C@](C(OCC)=O)(C(C)C)[H] |
| SPLASH | splash10-001i-0290000000-058a4d70ccd51b60da3b |
| Source of Spectrum | CAY-2023-251-0 |
| Wiley ID | 1888217 |