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1-(3,5-Ditert-butyl-2-methoxy-phenyl)ethanone

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

1-(3,5-Ditert-butyl-2-methoxy-phenyl)ethanone
SpectraBase Compound ID 9DrMPzY9aVo
InChI InChI=1S/C17H26O2/c1-11(18)13-9-12(16(2,3)4)10-14(15(13)19-8)17(5,6)7/h9-10H,1-8H3
InChIKey UPMCJEQAGSGCLG-UHFFFAOYSA-N
Mol Weight 262.39 g/mol
Molecular Formula C17H26O2
Exact Mass 262.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BdbxaAVGN0h
Name 1-(3,5-Ditert-butyl-2-methoxy-phenyl)ethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.193280075 u
Formula C17H26O2
InChI InChI=1S/C17H26O2/c1-11(18)13-9-12(16(2,3)4)10-14(15(13)19-8)17(5,6)7/h9-10H,1-8H3
InChIKey UPMCJEQAGSGCLG-UHFFFAOYSA-N
Molecular Weight 262.393 g/mol
SMILES C=1(C(=C(C(C)(C)C)C=C(C1)C(C)(C)C)OC)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968049