| SpectraBase Spectrum ID |
3LUg4WN8mso |
| Name |
1,3-Dioxo-alpha-(p-sec-butylanilino)-delta square, alpha-indanacetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.136827826 u |
| Formula |
C21H18N2O2 |
| InChI |
InChI=1S/C21H18N2O2/c1-3-13(2)14-8-10-15(11-9-14)23-18(12-22)19-20(24)16-6-4-5-7-17(16)21(19)25/h4-11,13,23H,3H2,1-2H3 |
| InChIKey |
DHYXSSAUTXJIFG-UHFFFAOYSA-N |
| SMILES |
N(C(=C1C(C=2C=CC=CC2C1=O)=O)C#N)C=1C=CC(=CC1)C(CC)C |
| Spectrum/Structure Validation Score (Raman) |
0.920738 |
