| SpectraBase Compound ID | 29oQNSEU5aq |
|---|---|
| InChI | InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3 |
| InChIKey | JEYWNNAZDLFBFF-UHFFFAOYSA-N |
| Mol Weight | 425.57 g/mol |
| Molecular Formula | C29H31NO2 |
| Exact Mass | 425.235479 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 69EZhfx1mLP |
|---|---|
| Name | Nafoxidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.235479240 u |
| Formula | C29H31NO2 |
| InChI | InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3 |
| InChIKey | JEYWNNAZDLFBFF-UHFFFAOYSA-N |
| Molecular Weight | 425.572 g/mol |
| SMILES | C1(=CC=C(C=C1)OCCN1CCCC1)C1=C(C2=CC=CC=C2)CCC2=C1C=CC(=C2)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882807 |