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1,3-Ditert-butyl-5-(methoxymethyl)benzene

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

1,3-Ditert-butyl-5-(methoxymethyl)benzene
SpectraBase Compound ID 7OFb0UWmtrq
InChI InChI=1S/C16H26O/c1-15(2,3)13-8-12(11-17-7)9-14(10-13)16(4,5)6/h8-10H,11H2,1-7H3
InChIKey SBTNEYZJNSNVNJ-UHFFFAOYSA-N
Mol Weight 234.38 g/mol
Molecular Formula C16H26O
Exact Mass 234.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3pXzOMnsKGz
Name 1,3-Ditert-butyl-5-(methoxymethyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.198365456 u
Formula C16H26O
InChI InChI=1S/C16H26O/c1-15(2,3)13-8-12(11-17-7)9-14(10-13)16(4,5)6/h8-10H,11H2,1-7H3
InChIKey SBTNEYZJNSNVNJ-UHFFFAOYSA-N
Molecular Weight 234.383 g/mol
SMILES C=1(C=C(C=C(C1)COC)C(C)(C)C)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946343