| SpectraBase Spectrum ID |
BWZhz2VPReg |
| Name |
(S)-(+)-4'-(2-methylbutoxy)-4-biphenylcarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.146664235 u |
| Formula |
C18H19NO |
| InChI |
InChI=1S/C18H19NO/c1-3-14(2)13-20-18-10-8-17(9-11-18)16-6-4-15(12-19)5-7-16/h4-11,14H,3,13H2,1-2H3/t14-/m0/s1 |
| InChIKey |
WBUQBWQWNDKJJR-AWEZNQCLSA-N |
| Molecular Weight |
265.356 g/mol |
| SMILES |
C(#N)C1=CC=C(C2=CC=C(OC[C@](CC)(C)[H])C=C2)C=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.983179 |
