| SpectraBase Compound ID | B6ofHiTJ0Jd |
|---|---|
| InChI | InChI=1S/C20H32N2O4/c1-14(2)11-16(13-23)21-18(24)17(12-15-9-7-6-8-10-15)22-19(25)26-20(3,4)5/h6-10,14,16-17,23H,11-13H2,1-5H3,(H,21,24)(H,22,25) |
| InChIKey | ISOCPOAEYPMZEV-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C20H32N2O4 |
| Exact Mass | 364.236208 g/mol |
| SpectraBase Spectrum ID | DdZdJUg61qp |
|---|---|
| Name | Tert-butyl 1-benzyl-2-([1-(hydroxymethyl)-3-methylbutyl]amino)-2-oxoethylcarbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.236207514 u |
| Formula | C20H32N2O4 |
| InChI | InChI=1S/C20H32N2O4/c1-14(2)11-16(13-23)21-18(24)17(12-15-9-7-6-8-10-15)22-19(25)26-20(3,4)5/h6-10,14,16-17,23H,11-13H2,1-5H3,(H,21,24)(H,22,25) |
| InChIKey | ISOCPOAEYPMZEV-UHFFFAOYSA-N |
| Molecular Weight | 364.486 g/mol |
| SMILES | CC(CC(NC(C(NC(OC(C)(C)C)=O)CC1=CC=CC=C1)=O)CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945353 |