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1H-1,3-Benzimidazole, 2-[[5-methyl-2-(1-methylethyl)phenoxy]methyl]-1-(2-propynyl)-
SpectraBase Compound ID CvgFhVltiPP
InChI InChI=1S/C21H22N2O/c1-5-12-23-19-9-7-6-8-18(19)22-21(23)14-24-20-13-16(4)10-11-17(20)15(2)3/h1,6-11,13,15H,12,14H2,2-4H3
InChIKey ZADVDBQOCUTSRP-UHFFFAOYSA-N
Mol Weight 318.42 g/mol
Molecular Formula C21H22N2O
Exact Mass 318.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcV2dDfaOVx
Name 1H-1,3-Benzimidazole, 2-[[5-methyl-2-(1-methylethyl)phenoxy]methyl]-1-(2-propynyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O
InChI InChI=1S/C21H22N2O/c1-5-12-23-19-9-7-6-8-18(19)22-21(23)14-24-20-13-16(4)10-11-17(20)15(2)3/h1,6-11,13,15H,12,14H2,2-4H3
InChIKey ZADVDBQOCUTSRP-UHFFFAOYSA-N
Molecular Weight 318.420 g/mol
SMILES c1ccc2[n](c(nc2c1)COc1cc(ccc1C(C)C)C)CC#C
SPLASH splash10-014i-4900000000-8338c7337947389056e1
Source of Spectrum IY-2-4831-4
Synonyms 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-prop-2-ynylbenzimidazole 2-[(2-isopropyl-5-methyl-phenoxy)methyl]-1-prop-2-ynyl-benzimidazole 2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1-prop-2-ynyl-benzimidazole
Wiley ID 1656297