| SpectraBase Compound ID | 31zWzJBsaHY |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h6,8-10H,2-5,7H2,1H3 |
| InChIKey | HCBUCWZVSHDSIZ-UHFFFAOYSA-N |
| Mol Weight | 207.27 g/mol |
| Molecular Formula | C12H17NO2 |
| Exact Mass | 207.125929 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GrrnXYGzX77 |
|---|---|
| Name | 1-Nitro-3-N-hexylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.125928789 u |
| Formula | C12H17NO2 |
| InChI | InChI=1S/C12H17NO2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h6,8-10H,2-5,7H2,1H3 |
| InChIKey | HCBUCWZVSHDSIZ-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | C1(=CC(=CC=C1)N(=O)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.84752 |