| SpectraBase Spectrum ID |
HwuduqjMHt3 |
| Name |
6,7-Dimethoxy-2-[2-(p-methoxyphenoxy)-5-nitrophenyl]-4H-3,1-benzoxazin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.106315540 u |
| Formula |
C23H18N2O8 |
| InChI |
InChI=1S/C23H18N2O8/c1-29-14-5-7-15(8-6-14)32-19-9-4-13(25(27)28)10-17(19)22-24-18-12-21(31-3)20(30-2)11-16(18)23(26)33-22/h4-12H,1-3H3 |
| InChIKey |
HMBRYGZXMMJCJY-UHFFFAOYSA-N |
| Molecular Weight |
450.403 g/mol |
| SMILES |
N(=O)(=O)C=1C=CC(=C(C1)C=1OC(C=2C=C(C(=CC2N1)OC)OC)=O)OC=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Raman) |
0.927662 |
![6,7-dimethoxy-2-[2-(p-methoxyphenoxy)-5-nitrophenyl]-4H-3,1-benzoxazin-4-one](/api/spectrum/HwuduqjMHt3/structure.png?h=300&w=458 "6,7-dimethoxy-2-[2-(p-methoxyphenoxy)-5-nitrophenyl]-4H-3,1-benzoxazin-4-one")
