| SpectraBase Spectrum ID |
uYs3PRRgc1 |
| Name |
Carbamic acid, N-(.alpha.-methylbenzyl)-, 2,3-dimethylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.172878983 u |
| Formula |
C15H23NO2 |
| InChI |
InChI=1S/C15H23NO2/c1-11(2)12(3)10-18-15(17)16-13(4)14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3,(H,16,17) |
| InChIKey |
NZGRBEAXZYPVQS-UHFFFAOYSA-N |
| Molecular Weight |
249.354 g/mol |
| SMILES |
C1=CC(C(NC(OCC(C)C(C)C)=O)C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837809 |
