| SpectraBase Compound ID | BXnRaJG19Zm |
|---|---|
| InChI | InChI=1S/C23H29FN2O/c1-2-23(27)26(18-20-8-10-21(24)11-9-20)22-13-16-25(17-14-22)15-12-19-6-4-3-5-7-19/h3-11,22H,2,12-18H2,1H3 |
| InChIKey | XXDSKBHNBRCBID-UHFFFAOYSA-N |
| Mol Weight | 368.5 g/mol |
| Molecular Formula | C23H29FN2O |
| Exact Mass | 368.226392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2QOC6oxQXFO |
|---|---|
| Name | 4-Fluoro-butyrylfentanyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.226391724 u |
| Formula | C23H29FN2O |
| InChI | InChI=1S/C23H29FN2O/c1-2-23(27)26(18-20-8-10-21(24)11-9-20)22-13-16-25(17-14-22)15-12-19-6-4-3-5-7-19/h3-11,22H,2,12-18H2,1H3 |
| InChIKey | XXDSKBHNBRCBID-UHFFFAOYSA-N |
| Molecular Weight | 368.496 g/mol |
| SMILES | C1(N(CC2=CC=C(C=C2)F)C(CC)=O)CCN(CC1)CCC=1C=CC=CC1 |