| SpectraBase Compound ID | B4CEJcerCHm |
|---|---|
| InChI | InChI=1S/C23H30N2O/c1-19(2)23(26)25(21-11-7-4-8-12-21)22-14-17-24(18-15-22)16-13-20-9-5-3-6-10-20/h3-12,19,22H,13-18H2,1-2H3 |
| InChIKey | WRPFPNIHTOSMKU-UHFFFAOYSA-N |
| Mol Weight | 350.51 g/mol |
| Molecular Formula | C23H30N2O |
| Exact Mass | 350.235814 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BSSMsqPDuNI |
|---|---|
| Name | Isobutyryl fentanyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.235813593 u |
| Formula | C23H30N2O |
| InChI | InChI=1S/C23H30N2O/c1-19(2)23(26)25(21-11-7-4-8-12-21)22-14-17-24(18-15-22)16-13-20-9-5-3-6-10-20/h3-12,19,22H,13-18H2,1-2H3 |
| InChIKey | WRPFPNIHTOSMKU-UHFFFAOYSA-N |
| Molecular Weight | 350.506 g/mol |
| SMILES | C1C(CCN(C1)CCC1=CC=CC=C1)N(C(C(C)C)=O)C1=CC=CC=C1 |