| SpectraBase Spectrum ID |
HUtQhWQdsNz |
| Name |
5-(1,3-Benzodioxol-5-yl)-2,3-bis(oxidanyl)-3-phenyl-cyclopentene-1-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.100107963 u |
| Formula |
C19H15NO4 |
| InChI |
InChI=1S/C19H15NO4/c20-10-15-14(12-6-7-16-17(8-12)24-11-23-16)9-19(22,18(15)21)13-4-2-1-3-5-13/h1-8,14,21-22H,9,11H2 |
| InChIKey |
WPFKRHUUHBWDCP-UHFFFAOYSA-N |
| Molecular Weight |
321.332 g/mol |
| SMILES |
C1(=C(C(C2=CC=CC=C2)(O)CC1C=1C=C2OCOC2=CC1)O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864248 |
