| SpectraBase Compound ID | IP9yNAY9bEA |
|---|---|
| InChI | InChI=1S/C18H23N3O5/c1-11(2)15(18(25)26-3)19-17(24)16-12-7-4-5-8-13(12)21(20-16)10-6-9-14(22)23/h4-5,7-8,11,15H,6,9-10H2,1-3H3,(H,19,24)(H,22,23)/t15-/m0/s1 |
| InChIKey | UMBLPRSHFHYWSE-HNNXBMFYSA-N |
| Mol Weight | 361.4 g/mol |
| Molecular Formula | C18H23N3O5 |
| Exact Mass | 361.163771 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | AUfPadf9ZrP |
|---|---|
| Name | 4-Cyano MMB-BUTINACA N-butanoic acid metabolite |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 33835 |
| Lot Number | 0621095-5 |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H23N3O5 |
| InChI | InChI=1S/C18H23N3O5/c1-11(2)15(18(25)26-3)19-17(24)16-12-7-4-5-8-13(12)21(20-16)10-6-9-14(22)23/h4-5,7-8,11,15H,6,9-10H2,1-3H3,(H,19,24)(H,22,23)/t15-/m0/s1 |
| InChIKey | UMBLPRSHFHYWSE-HNNXBMFYSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | OC(CCC[n]1nc(C(=O)N[C@@](C(C)C)(C(OC)=O)[H])c2c1cccc2)=O |
| Solvent | Dichloromethane |
| Source of Spectrum | Forensic Spectral Research |
| Technique | ATR-Film |