![Phenylmethyl-2-phenyl-1-[[3-(2-methylpropylthio)phenyl]aminocarbonyl]carbamate](/api/spectrum/EBkTjwejVDS/structure.png?h=300&w=458 "Phenylmethyl-2-phenyl-1-[[3-(2-methylpropylthio)phenyl]aminocarbonyl]carbamate")
| SpectraBase Compound ID | 1AUF8c96TUm |
|---|---|
| InChI | InChI=1S/C27H30N2O3S/c1-20(2)19-33-24-15-9-14-23(17-24)28-26(30)25(16-21-10-5-3-6-11-21)29-27(31)32-18-22-12-7-4-8-13-22/h3-15,17,20,25H,16,18-19H2,1-2H3,(H,28,30)(H,29,31) |
| InChIKey | QCVXHYYIXLHQPB-UHFFFAOYSA-N |
| Mol Weight | 462.61 g/mol |
| Molecular Formula | C27H30N2O3S |
| Exact Mass | 462.197714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EBkTjwejVDS |
|---|---|
| Name | Phenylmethyl-2-phenyl-1-[[3-(2-methylpropylthio)phenyl]aminocarbonyl]carbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.197714005 u |
| Formula | C27H30N2O3S |
| InChI | InChI=1S/C27H30N2O3S/c1-20(2)19-33-24-15-9-14-23(17-24)28-26(30)25(16-21-10-5-3-6-11-21)29-27(31)32-18-22-12-7-4-8-13-22/h3-15,17,20,25H,16,18-19H2,1-2H3,(H,28,30)(H,29,31) |
| InChIKey | QCVXHYYIXLHQPB-UHFFFAOYSA-N |
| Molecular Weight | 462.608 g/mol |
| SMILES | C1(=CC=CC=C1)COC(=O)NC(CC1=CC=CC=C1)C(NC=1C=C(C=CC1)SCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878802 |