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1-[4-(4-chlorophenoxy)butyl]-2-(methoxymethyl)-1H-1,3-benzodiazole

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

1-[4-(4-chlorophenoxy)butyl]-2-(methoxymethyl)-1H-1,3-benzodiazole
SpectraBase Compound ID EUP15wItiYj
InChI InChI=1S/C19H21ClN2O2/c1-23-14-19-21-17-6-2-3-7-18(17)22(19)12-4-5-13-24-16-10-8-15(20)9-11-16/h2-3,6-11H,4-5,12-14H2,1H3
InChIKey STFKNPWPIKFWOI-UHFFFAOYSA-N
Mol Weight 344.84 g/mol
Molecular Formula C19H21ClN2O2
Exact Mass 344.129156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8BDIg4rKcij
Name 1-[4-(4-Chlorophenoxy)butyl]-2-(methoxymethyl)-1H-1,3-benzodiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.129155622 u
Formula C19H21ClN2O2
InChI InChI=1S/C19H21ClN2O2/c1-23-14-19-21-17-6-2-3-7-18(17)22(19)12-4-5-13-24-16-10-8-15(20)9-11-16/h2-3,6-11H,4-5,12-14H2,1H3
InChIKey STFKNPWPIKFWOI-UHFFFAOYSA-N
Molecular Weight 344.842 g/mol
SMILES C1=CC=C2N(CCCCOC3=CC=C(C=C3)Cl)C(=NC2=C1)COC