| SpectraBase Spectrum ID |
1WwaAFW4a7C |
| Name |
2-Amino-5-benzoyl-4,4-dimethyl-4,5-dihydrofuran-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.105527697 u |
| Formula |
C14H14N2O2 |
| InChI |
InChI=1S/C14H14N2O2/c1-14(2)10(8-15)13(16)18-12(14)11(17)9-6-4-3-5-7-9/h3-7,12H,16H2,1-2H3 |
| InChIKey |
CZAADWVBVKUPGH-UHFFFAOYSA-N |
| Molecular Weight |
242.278 g/mol |
| SMILES |
C1(OC(=C(C1(C)C)C#N)N)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840768 |
