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Tert-butyl 6-phenyl-5,6-dihydropyridine-1(2H)-carboxylate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Tert-butyl 6-phenyl-5,6-dihydropyridine-1(2H)-carboxylate
SpectraBase Compound ID s87F6U9dVw
InChI InChI=1S/C16H21NO2/c1-16(2,3)19-15(18)17-12-8-7-11-14(17)13-9-5-4-6-10-13/h4-10,14H,11-12H2,1-3H3
InChIKey JIGRCRHFGIMUEH-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GIeNsIEfubr
Name Tert-butyl 6-phenyl-5,6-dihydropyridine-1(2H)-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.157228918 u
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-16(2,3)19-15(18)17-12-8-7-11-14(17)13-9-5-4-6-10-13/h4-10,14H,11-12H2,1-3H3
InChIKey JIGRCRHFGIMUEH-UHFFFAOYSA-N
Molecular Weight 259.349 g/mol
SMILES C(N1C(C=2C=CC=CC2)CC=CC1)(OC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941329