| SpectraBase Compound ID | 95DKiVQx2nU |
|---|---|
| InChI | InChI=1S/C22H28N2O.C6H8O7/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,21H,2,13-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | IVLVTNPOHDFFCJ-UHFFFAOYSA-N |
| Mol Weight | 528.6 g/mol |
| Molecular Formula | C28H36N2O8 |
| Exact Mass | 528.247166 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 8OXTjYm3D9e |
|---|---|
| Name | Fentanyl citrate |
| Source of Sample | Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Catalog Number | 01399 |
| Lot Number | 543 |
| Apodization Function | Triangular |
| CAS Registry Number | 990-73-8 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| DEA Schedule | II |
| Formula | C28H36N2O8 |
| InChI | InChI=1S/C22H28N2O.C6H8O7/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,21H,2,13-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | IVLVTNPOHDFFCJ-UHFFFAOYSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 528.602 g/mol |
| SMILES | OC(CC(CC(O)=O)(C(=O)O)O)=O.c1ccc(cc1)CCN1CCC(CC1)N(C(CC)=O)c1ccccc1 |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | KBr0 |