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(4S)-4-(phenylmethyl)-2-(2-pyridinyl)-4,5-dihydrooxazole

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

(4S)-4-(phenylmethyl)-2-(2-pyridinyl)-4,5-dihydrooxazole
SpectraBase Compound ID HEmSC2pX1Pg
InChI InChI=1S/C15H14N2O/c1-2-6-12(7-3-1)10-13-11-18-15(17-13)14-8-4-5-9-16-14/h1-9,13H,10-11H2/t13-/m0/s1
InChIKey KDASQLQVBBTNJT-ZDUSSCGKSA-N
Mol Weight 238.29 g/mol
Molecular Formula C15H14N2O
Exact Mass 238.110613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G5OVxC5spnC
Name (4S)-4-(Phenylmethyl)-2-(2-pyridinyl)-4,5-dihydrooxazole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.110613078 u
Formula C15H14N2O
InChI InChI=1S/C15H14N2O/c1-2-6-12(7-3-1)10-13-11-18-15(17-13)14-8-4-5-9-16-14/h1-9,13H,10-11H2/t13-/m0/s1
InChIKey KDASQLQVBBTNJT-ZDUSSCGKSA-N
Molecular Weight 238.290 g/mol
SMILES C1(=N[C@](CO1)(CC=1C=CC=CC1)[H])C1=NC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929905