| SpectraBase Spectrum ID |
6pqWPx6ilqv |
| Name |
Cyclohexanone, 4-(1,1-dimethylethyl)-2-methyl-2-nitro-, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
213.136493473 u |
| Formula |
C11H19NO3 |
| InChI |
InChI=1S/C11H19NO3/c1-10(2,3)8-5-6-9(13)11(4,7-8)12(14)15/h8H,5-7H2,1-4H3/t8-,11-/m1/s1 |
| InChIKey |
NKNPOEUXBTWCCZ-LDYMZIIASA-N |
| Molecular Weight |
213.277 g/mol |
| SMILES |
[C@]1(N(=O)=O)(C[C@](C(C)(C)C)(CCC1=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888865 |
