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2C-tbu m-Toluoyl

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

2C-tbu m-Toluoyl
SpectraBase Compound ID GQXmSlV2R02
InChI InChI=1S/C22H29NO3/c1-15-8-7-9-17(12-15)21(24)23-11-10-16-13-20(26-6)18(22(2,3)4)14-19(16)25-5/h7-9,12-14H,10-11H2,1-6H3,(H,23,24)
InChIKey WKLNWZBDUOGXNI-UHFFFAOYSA-N
Mol Weight 355.48 g/mol
Molecular Formula C22H29NO3
Exact Mass 355.214744 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5DVYsRkH2Iv
Name 2C-tbu m-Toluoyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.214743795 u
Formula C22H29NO3
InChI InChI=1S/C22H29NO3/c1-15-8-7-9-17(12-15)21(24)23-11-10-16-13-20(26-6)18(22(2,3)4)14-19(16)25-5/h7-9,12-14H,10-11H2,1-6H3,(H,23,24)
InChIKey WKLNWZBDUOGXNI-UHFFFAOYSA-N
Molecular Weight 355.478 g/mol
SMILES C1(=C(C(C)(C)C)C=C(C(=C1)CCNC(C=1C=C(C=CC1)C)=O)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912254