| SpectraBase Spectrum ID |
2szGhdaCMrw |
| Name |
o-(Trifluoromethyl)carbanilic acid, 6-bromo-3,4-xylyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.008176150 u |
| Formula |
C16H13BrF3NO2 |
| InChI |
InChI=1S/C16H13BrF3NO2/c1-9-7-12(17)14(8-10(9)2)23-15(22)21-13-6-4-3-5-11(13)16(18,19)20/h3-8H,1-2H3,(H,21,22) |
| InChIKey |
RCNHXWLWZRXKOD-UHFFFAOYSA-N |
| Molecular Weight |
388.184 g/mol |
| SMILES |
N(C=1C=CC=CC1C(F)(F)F)C(OC=1C(=CC(=C(C1)C)C)Br)=O |
