| SpectraBase Spectrum ID |
DVRsDvqwmx |
| Name |
Benzenamine, 3-chloro-4-[4-(difluoromethoxy)phenoxy]-, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.013490322 u |
| Formula |
C13H11Cl2F2NO2 |
| InChI |
InChI=1S/C13H10ClF2NO2.ClH/c14-11-7-8(17)1-6-12(11)18-9-2-4-10(5-3-9)19-13(15)16;/h1-7,13H,17H2;1H |
| InChIKey |
XNTRQFYYILGOHF-UHFFFAOYSA-N |
| Molecular Weight |
322.139 g/mol |
| SMILES |
[NH3+]C1=CC=C(OC2=CC=C(C=C2)OC(F)F)C(=C1)Cl.[Cl-] |
| Spectrum/Structure Validation Score (Raman) |
0.878999 |
![Benzenamine, 3-chloro-4-[4-(difluoromethoxy)phenoxy]-, hydrochloride](/api/spectrum/DVRsDvqwmx/structure.png?h=300&w=458 "Benzenamine, 3-chloro-4-[4-(difluoromethoxy)phenoxy]-, hydrochloride")
