SpectraBase Spectrum ID |
GyTEIa29ER7 |
Name |
2-{3-Methoxy-2-[(cis-2-phenylcyclopropyl)methyl]phenyl}pyridine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
315.162314299 u |
Formula |
C22H21NO |
InChI |
InChI=1S/C22H21NO/c1-24-22-12-7-10-18(21-11-5-6-13-23-21)20(22)15-17-14-19(17)16-8-3-2-4-9-16/h2-13,17,19H,14-15H2,1H3/t17-,19+/m0/s1 |
InChIKey |
GXTAJKSIUFNJHW-PKOBYXMFSA-N |
Molecular Weight |
315.416 g/mol |
SMILES |
[C@]1(C[C@]1(CC1=C(C=CC=C1C1=NC=CC=C1)OC)[H])(C1=CC=CC=C1)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870002 |