| SpectraBase Spectrum ID |
KInr52XuBpt |
| Name |
2-Oxatricyclo[9.4.0.0(3,8)]pentadeca-1(11),3,5,7,9,12,14-heptaene-5,6-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.063662885 u |
| Formula |
C16H8N2O |
| InChI |
InChI=1S/C16H8N2O/c17-9-13-7-12-6-5-11-3-1-2-4-15(11)19-16(12)8-14(13)10-18/h1-8H |
| InChIKey |
BHOIJLPCSDPZKS-UHFFFAOYSA-N |
| Molecular Weight |
244.253 g/mol |
| SMILES |
C12=CC=CC=C2OC=2C=C(C(=CC2C=C1)C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946466 |
![2-Oxatricyclo[9.4.0.0(3,8)]pentadeca-1(11),3,5,7,9,12,14-heptaene-5,6-dicarbonitrile](/api/spectrum/KInr52XuBpt/structure.png?h=300&w=458 "2-Oxatricyclo[9.4.0.0(3,8)]pentadeca-1(11),3,5,7,9,12,14-heptaene-5,6-dicarbonitrile")
