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2-Benzoyl-5,7-di-tert-butyl-2,3-dihydrobenzoxazole

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

2-Benzoyl-5,7-di-tert-butyl-2,3-dihydrobenzoxazole
SpectraBase Compound ID BymmLq39GS9
InChI InChI=1S/C22H27NO2/c1-21(2,3)15-12-16(22(4,5)6)19-17(13-15)23-20(25-19)18(24)14-10-8-7-9-11-14/h7-13,20,23H,1-6H3
InChIKey FIVOOAGWDUUMSA-UHFFFAOYSA-N
Mol Weight 337.46 g/mol
Molecular Formula C22H27NO2
Exact Mass 337.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DMXGVJltGPF
Name 2-Benzoyl-5,7-di-tert-butyl-2,3-dihydrobenzoxazole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.204179111 u
Formula C22H27NO2
InChI InChI=1S/C22H27NO2/c1-21(2,3)15-12-16(22(4,5)6)19-17(13-15)23-20(25-19)18(24)14-10-8-7-9-11-14/h7-13,20,23H,1-6H3
InChIKey FIVOOAGWDUUMSA-UHFFFAOYSA-N
Molecular Weight 337.463 g/mol
SMILES C1(OC=2C(N1)=CC(=CC2C(C)(C)C)C(C)(C)C)C(C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978175