| SpectraBase Compound ID | 8PVhT5kNxH |
|---|---|
| InChI | InChI=1S/C24H30N2O3.C6H8O7/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-13H,3,14-19H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | ZSLYVCXNFQPCGT-UHFFFAOYSA-N |
| Mol Weight | 586.64 g/mol |
| Molecular Formula | C30H38N2O10 |
| Exact Mass | 586.252645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwBfiZM7pxa |
|---|---|
| Name | Carfentanil citrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 586.252645422 u |
| Formula | C30H38N2O10 |
| InChI | InChI=1S/C24H30N2O3.C6H8O7/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-13H,3,14-19H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | ZSLYVCXNFQPCGT-UHFFFAOYSA-N |
| Molecular Weight | 586.638 g/mol |
| SMILES | OC(C(O)=O)(CC(O)=O)CC(O)=O.C(OC)(=O)C1(N(C2=CC=CC=C2)C(=O)CC)CCN(CC1)CCC1=CC=CC=C1 |