| SpectraBase Spectrum ID |
KATQwZohBXA |
| Name |
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (3-chloro-2-methyl-phenyl)-amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.066221012 u |
| Formula |
C16H14ClNO3 |
| InChI |
InChI=1S/C16H14ClNO3/c1-10-11(17)5-4-6-12(10)18-16(19)15-9-20-13-7-2-3-8-14(13)21-15/h2-8,15H,9H2,1H3,(H,18,19) |
| InChIKey |
OKXLPJUSQTXVTJ-UHFFFAOYSA-N |
| SMILES |
C=12C(OCC(O2)C(NC=2C(=C(C=CC2)Cl)C)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946475 |
![2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (3-chloro-2-methyl-phenyl)-amide](/api/spectrum/KATQwZohBXA/structure.png?h=300&w=458 "2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (3-chloro-2-methyl-phenyl)-amide")
