SpectraBase Spectrum ID |
17l7aCbYcYH |
Name |
2H-1,4-Benzoxazine-2,3(4H)-dione, 4-[(3,4-dimethoxyphenyl)methyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
313.095022582 u |
Formula |
C17H15NO5 |
InChI |
InChI=1S/C17H15NO5/c1-21-14-8-7-11(9-15(14)22-2)10-18-12-5-3-4-6-13(12)23-17(20)16(18)19/h3-9H,10H2,1-2H3 |
InChIKey |
HPCYHVPQMGXQJO-UHFFFAOYSA-N |
Molecular Weight |
313.309 g/mol |
SMILES |
C1=CC=C2C(=C1)N(C(C(O2)=O)=O)CC=1C=C(OC)C(OC)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819825 |