| SpectraBase Compound ID | 9fU56CIvM4D |
|---|---|
| InChI | InChI=1S/C32H43NO3/c1-8-31(3,4)24-17-19-28(27(22-24)32(5,6)9-2)36-21-13-12-20-33-30(34)26-18-16-23-14-10-11-15-25(23)29(26)35-7/h10-11,14-19,22H,8-9,12-13,20-21H2,1-7H3,(H,33,34) |
| InChIKey | RYIFJASLFZOPAB-UHFFFAOYSA-N |
| Mol Weight | 489.7 g/mol |
| Molecular Formula | C32H43NO3 |
| Exact Mass | 489.324294 g/mol |
| SpectraBase Spectrum ID | E8tYX4k6SlM |
|---|---|
| Name | N-[4-(2,4-di-Tert-pentylphenoxy)butyl]-1-methoxy-2-naphthamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 489.324294246 u |
| Formula | C32H43NO3 |
| InChI | InChI=1S/C32H43NO3/c1-8-31(3,4)24-17-19-28(27(22-24)32(5,6)9-2)36-21-13-12-20-33-30(34)26-18-16-23-14-10-11-15-25(23)29(26)35-7/h10-11,14-19,22H,8-9,12-13,20-21H2,1-7H3,(H,33,34) |
| InChIKey | RYIFJASLFZOPAB-UHFFFAOYSA-N |
| Molecular Weight | 489.700 g/mol |
| SMILES | C=1(C(=C2C=CC=CC2=CC1)OC)C(=O)NCCCCOC=1C(=CC(=CC1)C(CC)(C)C)C(CC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85261 |