| SpectraBase Spectrum ID |
G2nB7LjxFpT |
| Name |
4-Bromo-N-cyclohexyl-2-nitro-5-propoxyaniline, N-methyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.089205606 u |
| Formula |
C16H23BrN2O3 |
| InChI |
InChI=1S/C16H23BrN2O3/c1-3-9-22-16-11-14(15(19(20)21)10-13(16)17)18(2)12-7-5-4-6-8-12/h10-12H,3-9H2,1-2H3 |
| InChIKey |
FZIBZKIRYAWNBH-UHFFFAOYSA-N |
| Molecular Weight |
371.275 g/mol |
| SMILES |
C1(OCCC)=CC(N(C)C2CCCCC2)=C(N(=O)=O)C=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848807 |
