SpectraBase Spectrum ID |
6SWLmR7m4sy |
Name |
2H-1,4-Benzoxazine-4-acetamide, N-(1,3-benzodioxol-5-yl)-6-chloro-3,4-dihydro-3-oxo- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
360.051299222 u |
Formula |
C17H13ClN2O5 |
InChI |
InChI=1S/C17H13ClN2O5/c18-10-1-3-13-12(5-10)20(17(22)8-23-13)7-16(21)19-11-2-4-14-15(6-11)25-9-24-14/h1-6H,7-9H2,(H,19,21) |
InChIKey |
XZIPSYWDMKZOTP-UHFFFAOYSA-N |
Molecular Weight |
360.753 g/mol |
SMILES |
C1=C(C=C2N(C(COC2=C1)=O)CC(NC=1C=CC=2OCOC2C1)=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945705 |