| SpectraBase Spectrum ID |
JNXNbarxQLc |
| Name |
Propan-1-one, 1-[4-(1-methylethyl)-2-nitrosophenyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
205.110278725 u |
| Formula |
C12H15NO2 |
| InChI |
InChI=1S/C12H15NO2/c1-4-12(14)10-6-5-9(8(2)3)7-11(10)13-15/h5-8H,4H2,1-3H3 |
| InChIKey |
LNIQMFZHYYNYTB-UHFFFAOYSA-N |
| Molecular Weight |
205.257 g/mol |
| SMILES |
C1(=C(C=C(C=C1)C(C)C)N=O)C(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87584 |
![Propan-1-one, 1-[4-(1-methylethyl)-2-nitrosophenyl]-](/api/spectrum/JNXNbarxQLc/structure.png?h=300&w=458 "Propan-1-one, 1-[4-(1-methylethyl)-2-nitrosophenyl]-")
