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(4S)-4-Isopropyl-2-phenyl-4,5-dihydro-1,3-oxazole
SpectraBase Compound ID CDpajKrWAU6
InChI InChI=1S/C12H15NO/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChIKey QPADYYUBHQRRIR-LLVKDONJSA-N
Mol Weight 189.26 g/mol
Molecular Formula C12H15NO
Exact Mass 189.115364 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IP9as0wo9Lw
Name (4S)-4-Isopropyl-2-phenyl-4,5-dihydro-1,3-oxazole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 189.115364106 u
Formula C12H15NO
InChI InChI=1S/C12H15NO/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChIKey QPADYYUBHQRRIR-LLVKDONJSA-N
Molecular Weight 189.258 g/mol
SMILES C1(=N[C@](CO1)(C(C)C)[H])C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912488
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