| SpectraBase Compound ID | 3Ugb8yOBuaQ |
|---|---|
| InChI | InChI=1S/C24H29NO5/c1-4-22(30-24(29)25-19-13-9-6-10-14-19)17(3)23(28)16(2)20(26)15-21(27)18-11-7-5-8-12-18/h5-14,16-17,20,22,26H,4,15H2,1-3H3,(H,25,29)/t16-,17-,20+,22-/m0/s1 |
| InChIKey | FNQROYXIOYWESJ-SXMNSQCDSA-N |
| Mol Weight | 411.5 g/mol |
| Molecular Formula | C24H29NO5 |
| Exact Mass | 411.204573 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3C6a6NehKus |
|---|---|
| Name | 8-Benzoyl-7-hydroxy-4,6-dimethyl-5-oxooct-3-yl phenylcarbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.204573033 u |
| Formula | C24H29NO5 |
| InChI | InChI=1S/C24H29NO5/c1-4-22(30-24(29)25-19-13-9-6-10-14-19)17(3)23(28)16(2)20(26)15-21(27)18-11-7-5-8-12-18/h5-14,16-17,20,22,26H,4,15H2,1-3H3,(H,25,29)/t16-,17-,20+,22-/m0/s1 |
| InChIKey | FNQROYXIOYWESJ-SXMNSQCDSA-N |
| Molecular Weight | 411.498 g/mol |
| SMILES | C([C@]([C@@](CC(=O)C1=CC=CC=C1)(O)[H])(C)[H])([C@]([C@@](OC(NC1=CC=CC=C1)=O)(CC)[H])(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867354 |