| SpectraBase Spectrum ID |
8iSnHRXiFIg |
| Name |
(2Z)-6-Methoxy-2-(2-nitrobenzylidene)coumaran-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.063722453 u |
| Formula |
C16H11NO5 |
| InChI |
InChI=1S/C16H11NO5/c1-21-11-6-7-12-14(9-11)22-15(16(12)18)8-10-4-2-3-5-13(10)17(19)20/h2-9H,1H3/b15-8- |
| InChIKey |
UJXSRHBNQGPXSW-NVNXTCNLSA-N |
| SMILES |
C1(\C(OC2=CC(=CC=C12)OC)=C\C=1C(N(=O)=O)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897334 |
