| SpectraBase Spectrum ID |
6i5vTy0it8n |
| Name |
5,12-Ethanonaphthacene-6-carbonitrile, 5,12-dihydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.120449487 u |
| Formula |
C21H15N |
| InChI |
InChI=1S/C21H15N/c22-12-20-14-6-2-1-5-13(14)11-19-17-9-10-18(21(19)20)16-8-4-3-7-15(16)17/h1-8,11,17-18H,9-10H2/t17-,18+/m1/s1 |
| InChIKey |
IEQQDYFOHJQOEB-MSOLQXFVSA-N |
| SMILES |
C(#N)C1=C2[C@]3(CC[C@@](C2=CC2=C1C=CC=C2)(C1=C3C=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937723 |
