![(phenylmethyl) N-[1-oxidanylidene-3-phenyl-1-[2-(4-propylphenoxy)ethylamino]propan-2-yl]carbamate](/api/spectrum/DYnHvO6kx3C/structure.png?h=300&w=458 "(phenylmethyl) N-[1-oxidanylidene-3-phenyl-1-[2-(4-propylphenoxy)ethylamino]propan-2-yl]carbamate")
| SpectraBase Compound ID | Jm5gYXnXetR |
|---|---|
| InChI | InChI=1S/C28H32N2O4/c1-2-9-22-14-16-25(17-15-22)33-19-18-29-27(31)26(20-23-10-5-3-6-11-23)30-28(32)34-21-24-12-7-4-8-13-24/h3-8,10-17,26H,2,9,18-21H2,1H3,(H,29,31)(H,30,32) |
| InChIKey | DAHNGMRJDXPJLD-UHFFFAOYSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C28H32N2O4 |
| Exact Mass | 460.236208 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DYnHvO6kx3C |
|---|---|
| Name | (Phenylmethyl) N-[1-oxidanylidene-3-phenyl-1-[2-(4-propylphenoxy)ethylamino]propan-2-yl]carbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.236207514 u |
| Formula | C28H32N2O4 |
| InChI | InChI=1S/C28H32N2O4/c1-2-9-22-14-16-25(17-15-22)33-19-18-29-27(31)26(20-23-10-5-3-6-11-23)30-28(32)34-21-24-12-7-4-8-13-24/h3-8,10-17,26H,2,9,18-21H2,1H3,(H,29,31)(H,30,32) |
| InChIKey | DAHNGMRJDXPJLD-UHFFFAOYSA-N |
| Molecular Weight | 460.574 g/mol |
| SMILES | C(NC(C(=O)NCCOC1=CC=C(C=C1)CCC)CC=1C=CC=CC1)(=O)OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846981 |