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4-(1H-benzimidazol-2-yl)-2,6-ditert-butylphenol

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

4-(1H-benzimidazol-2-yl)-2,6-ditert-butylphenol
SpectraBase Compound ID 88MHJfRcvTr
InChI InChI=1S/C21H26N2O/c1-20(2,3)14-11-13(12-15(18(14)24)21(4,5)6)19-22-16-9-7-8-10-17(16)23-19/h7-12,24H,1-6H3,(H,22,23)
InChIKey JWVSBNYGKQHTQN-UHFFFAOYSA-N
Mol Weight 322.45 g/mol
Molecular Formula C21H26N2O
Exact Mass 322.204513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3SsZXnoPkHr
Name 4-(1H-Benzimidazol-2-yl)-2,6-ditert-butylphenol
Comments Computed using HOSE algorithm
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Exact Mass 322.204513464 u
Formula C21H26N2O
InChI InChI=1S/C21H26N2O/c1-20(2,3)14-11-13(12-15(18(14)24)21(4,5)6)19-22-16-9-7-8-10-17(16)23-19/h7-12,24H,1-6H3,(H,22,23)
InChIKey JWVSBNYGKQHTQN-UHFFFAOYSA-N
Molecular Weight 322.452 g/mol
SMILES C1(=NC=2C=CC=CC2N1)C=1C=C(C(C)(C)C)C(=C(C1)C(C)(C)C)O