| SpectraBase Spectrum ID |
COX8C0SQHQi |
| Name |
3-Benzofurancarbonitrile, 2,3,4,5,6,7-hexahydro-2-phenyl-, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
225.115364106 u |
| Formula |
C15H15NO |
| InChI |
InChI=1S/C15H15NO/c16-10-13-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-3,6-7,13,15H,4-5,8-9H2/t13-,15+/m0/s1 |
| InChIKey |
VMMQLDYLZFATAO-DZGCQCFKSA-N |
| Molecular Weight |
225.291 g/mol |
| SMILES |
C1=2O[C@@]([C@](C2CCCC1)(C#N)[H])(C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921194 |
