| SpectraBase Compound ID | 5oZcqMrBhay |
|---|---|
| InChI | InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26) |
| InChIKey | IDZASIQMRGPBCQ-UHFFFAOYSA-N |
| Mol Weight | 365.48 g/mol |
| Molecular Formula | C22H27N3O2 |
| Exact Mass | 365.210327 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I29f7zFeuvJ |
|---|---|
| Name | Nafadotride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.210327119 u |
| Formula | C22H27N3O2 |
| InChI | InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26) |
| InChIKey | IDZASIQMRGPBCQ-UHFFFAOYSA-N |
| Molecular Weight | 365.477 g/mol |
| SMILES | C1(=C(C=C(C=2C1=CC=CC2)C#N)C(=O)NCC1N(CCCC)CCC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85151 |