| SpectraBase Compound ID | 9zZbCJ11wul |
|---|---|
| InChI | InChI=1S/C31H43NO4/c1-3-5-7-9-11-14-20-24-22-26-27(25(29(24)33)21-17-12-10-8-6-4-2)28(31(35)36-26)32-30(34)23-18-15-13-16-19-23/h13,15-16,18-19,22,28,33H,3-12,14,17,20-21H2,1-2H3,(H,32,34) |
| InChIKey | LKDKDHAPERZESB-UHFFFAOYSA-N |
| Mol Weight | 493.7 g/mol |
| Molecular Formula | C31H43NO4 |
| Exact Mass | 493.319209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JHoGfPkPy96 |
|---|---|
| Name | Benzamide, N-(2,3-dihydro-5-hydroxy-4,6-dioctyl-2-oxo-3-benzofuranyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 493.319208865 u |
| Formula | C31H43NO4 |
| InChI | InChI=1S/C31H43NO4/c1-3-5-7-9-11-14-20-24-22-26-27(25(29(24)33)21-17-12-10-8-6-4-2)28(31(35)36-26)32-30(34)23-18-15-13-16-19-23/h13,15-16,18-19,22,28,33H,3-12,14,17,20-21H2,1-2H3,(H,32,34) |
| InChIKey | LKDKDHAPERZESB-UHFFFAOYSA-N |
| Molecular Weight | 493.688 g/mol |
| SMILES | CCCCCCCCC1=CC=2OC(=O)C(C2C(=C1O)CCCCCCCC)NC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935174 |