| SpectraBase Spectrum ID |
DxGlWZa1TUW |
| Name |
2-[(6-Chloro-4H-1,3-benzodioxin-8-yl)methoxy]-5-nitrobenzaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.035314804 u |
| Formula |
C16H12ClNO6 |
| InChI |
InChI=1S/C16H12ClNO6/c17-13-3-11-7-22-9-24-16(11)12(4-13)8-23-15-2-1-14(18(20)21)5-10(15)6-19/h1-6H,7-9H2 |
| InChIKey |
ZTYMPPYITZUTDB-UHFFFAOYSA-N |
| Molecular Weight |
349.726 g/mol |
| SMILES |
C1(Cl)=CC2=C(C(=C1)COC1=C(C=C(C=C1)N(=O)=O)C=O)OCOC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865569 |
![2-[(6-Chloro-4H-1,3-benzodioxin-8-yl)methoxy]-5-nitrobenzaldehyde](/api/spectrum/DxGlWZa1TUW/structure.png?h=300&w=458 "2-[(6-Chloro-4H-1,3-benzodioxin-8-yl)methoxy]-5-nitrobenzaldehyde")
