| SpectraBase Compound ID | 5Tf8VHLVNLd |
|---|---|
| InChI | InChI=1S/C23H29FN2O/c1-18(2)23(27)26(22-11-7-6-10-21(22)24)20-13-16-25(17-14-20)15-12-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3 |
| InChIKey | NEWBKHYGTFTPMC-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 | 4S5r2qefMjz |
|---|---|
| Name | Ortho-fluoroisobutyryl fentanyl |
| 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/c1-18(2)23(27)26(22-11-7-6-10-21(22)24)20-13-16-25(17-14-20)15-12-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3 |
| InChIKey | NEWBKHYGTFTPMC-UHFFFAOYSA-N |
| Molecular Weight | 368.496 g/mol |
| SMILES | C1N(CCC(C1)N(C(C(C)C)=O)C=1C=CC=CC1F)CCC=1C=CC=CC1 |