| SpectraBase Spectrum ID |
2nWKTZckiCC |
| Name |
2-Methyl-2-phenyl-1-nitrobutane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
193.110278725 u |
| Formula |
C11H15NO2 |
| InChI |
InChI=1S/C11H15NO2/c1-3-11(2,9-12(13)14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/t11-/m1/s1 |
| InChIKey |
WEMRASLBHPPURT-LLVKDONJSA-N |
| Molecular Weight |
193.246 g/mol |
| SMILES |
C(N(=O)=O)[C@](C1=CC=CC=C1)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881913 |
