| SpectraBase Spectrum ID |
6qtOwEa8R6u |
| Name |
3A-Methyl-1-phenyl-2,3,3A,4-tetrahydrocyclopenta[C]chromene-2-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.131014170 u |
| Formula |
C20H17NO |
| InChI |
InChI=1S/C20H17NO/c1-20-11-15(12-21)18(14-7-3-2-4-8-14)19(20)16-9-5-6-10-17(16)22-13-20/h2-10,15H,11,13H2,1H3 |
| InChIKey |
QSUPTPQGHJJNCX-UHFFFAOYSA-N |
| Molecular Weight |
287.362 g/mol |
| SMILES |
C1C2(C(C=3C=CC=CC3O1)=C(C(C2)C#N)C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928333 |
![3a-Methyl-1-phenyl-2,3,3a,4-tetrahydrocyclopenta[c]chromene-2-carbonitrile](/api/spectrum/6qtOwEa8R6u/structure.png?h=300&w=458 "3a-Methyl-1-phenyl-2,3,3a,4-tetrahydrocyclopenta[c]chromene-2-carbonitrile")
