| SpectraBase Compound ID | 2L4PfgY8cDN |
|---|---|
| InChI | InChI=1S/C23H28FN7O/c1-14(2)31-15(3)26-12-20(31)21-19(24)11-27-23(29-21)28-17-7-5-16(6-8-17)22(32)30-10-9-18(13-30)25-4/h5-8,11-12,14,18,25H,9-10,13H2,1-4H3,(H,27,28,29)/t18-/m0/s1 |
| InChIKey | NTSDIJMNXYJJNG-SFHVURJKSA-N |
| Mol Weight | 437.52 g/mol |
| Molecular Formula | C23H28FN7O |
| Exact Mass | 437.233937 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | Ey0U3ni4gNy |
|---|---|
| Name | AZD 5597 |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 38526 |
| Lot Number | 0690747-1 |
| Accessory | DurasamplIR II |
| CAS Registry Number | 924641-59-8 |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 437.233936712 u |
| Formula | C23H28FN7O |
| InChI | InChI=1S/C23H28FN7O/c1-14(2)31-15(3)26-12-20(31)21-19(24)11-27-23(29-21)28-17-7-5-16(6-8-17)22(32)30-10-9-18(13-30)25-4/h5-8,11-12,14,18,25H,9-10,13H2,1-4H3,(H,27,28,29)/t18-/m0/s1 |
| InChIKey | NTSDIJMNXYJJNG-SFHVURJKSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 437.523 g/mol |
| Purity | ≥98% |
| Resolution | 4 |
| SMILES | C(=O)(N1C[C@](CC1)(NC)[H])C=1C=CC(=CC1)NC=1N=C(C(=CN1)F)C1=CN=C(N1C(C)C)C |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | [4-[[5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]-2-pyrimidinyl]amino]phenyl][(3S)-3-(methylamino)-1-pyrrolidinyl]-methanone |
| Technique | ATR-Neat |