| SpectraBase Spectrum ID |
4Mtb6O055K8 |
| Name |
4,9-Etheno-4A,8A-methano-1H-benz[F]isoindole-10-carbonitrile, 2,3,3A,4,9,9A-hexahydro-2-methyl-1,3-dioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.105527697 u |
| Formula |
C17H14N2O2 |
| InChI |
InChI=1S/C17H14N2O2/c1-19-14(20)12-9-4-5-10(13(12)15(19)21)17-7-3-2-6-16(9,17)11(17)8-18/h2-7,9-13H,1H3 |
| InChIKey |
LJPUAZATKZKTPS-UHFFFAOYSA-N |
| SMILES |
C123C(C4C5C(=O)N(C(C5C1C=C4)=O)C)(C=CC=C2)C3C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831678 |
![4,9-Etheno-4a,8a-methano-1H-benz[f]isoindole-10-carbonitrile, 2,3,3a,4,9,9a-hexahydro-2-methyl-1,3-dioxo-](/api/spectrum/4Mtb6O055K8/structure.png?h=300&w=458 "4,9-Etheno-4a,8a-methano-1H-benz[f]isoindole-10-carbonitrile, 2,3,3a,4,9,9a-hexahydro-2-methyl-1,3-dioxo-")
