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4-Cyclopropyl-2,6-di-tert-butylphenol

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

4-Cyclopropyl-2,6-di-tert-butylphenol
SpectraBase Compound ID 6lfmo6KVlpz
InChI InChI=1S/C17H26O/c1-16(2,3)13-9-12(11-7-8-11)10-14(15(13)18)17(4,5)6/h9-11,18H,7-8H2,1-6H3
InChIKey FAGFIQNFUKDKTH-UHFFFAOYSA-N
Mol Weight 246.39 g/mol
Molecular Formula C17H26O
Exact Mass 246.198365 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1wUM1NuPV0r
Name 4-Cyclopropyl-2,6-di-tert-butylphenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.198365456 u
Formula C17H26O
InChI InChI=1S/C17H26O/c1-16(2,3)13-9-12(11-7-8-11)10-14(15(13)18)17(4,5)6/h9-11,18H,7-8H2,1-6H3
InChIKey FAGFIQNFUKDKTH-UHFFFAOYSA-N
Molecular Weight 246.394 g/mol
SMILES OC=1C(=CC(=CC1C(C)(C)C)C1CC1)C(C)(C)C
Spectrum/Structure Validation Score (Raman) 0.943529