| SpectraBase Spectrum ID |
2unTPYYtFd3 |
| Name |
N-(4-Bromo-2-fluorophenyl)-2,2-dimethylpropanimidic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.032105269 u |
| Formula |
C12H15BrFNO |
| InChI |
InChI=1S/C12H15BrFNO/c1-12(2,3)11(16-4)15-10-6-5-8(13)7-9(10)14/h5-7H,1-4H3/b15-11+ |
| InChIKey |
DLWXUBGTMCPMHD-RVDMUPIBSA-N |
| Molecular Weight |
288.160 g/mol |
| SMILES |
C1(F)=C(C=CC(=C1)Br)\N=C/(OC)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940063 |
