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2-{3-Methoxy-2-[(cis-2-phenylcyclopropyl)methyl]phenyl}pyridine
SpectraBase Compound ID 1fxWEZvclqh
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
Mol Weight 315.42 g/mol
Molecular Formula C22H21NO
Exact Mass 315.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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