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5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol
SpectraBase Compound ID Jzi4DgIrSJN
InChI InChI=1S/C15H24O2/c1-10-7-11(13(17)12(16)8-10)15(5,6)9-14(2,3)4/h7-8,16-17H,9H2,1-6H3
InChIKey KEUANYXDVWBCRM-UHFFFAOYSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID B0RqbiY11fX
Name 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.177630011 u
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-10-7-11(13(17)12(16)8-10)15(5,6)9-14(2,3)4/h7-8,16-17H,9H2,1-6H3
InChIKey KEUANYXDVWBCRM-UHFFFAOYSA-N
Molecular Weight 236.355 g/mol
SMILES OC=1C(=CC(=CC1C(CC(C)(C)C)(C)C)C)O
Spectrum/Structure Validation Score (Raman) 0.971346