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5-[6-Chloro-1-(3-methoxypropyl)-1,3-benzodiazol-2-yl]pentanoic acid

View entire compound with spectra: 1 NMR

5-[6-Chloro-1-(3-methoxypropyl)-1,3-benzodiazol-2-yl]pentanoic acid
SpectraBase Compound ID 640qm8KFolL
InChI InChI=1S/C16H21ClN2O3/c1-22-10-4-9-19-14-11-12(17)7-8-13(14)18-15(19)5-2-3-6-16(20)21/h7-8,11H,2-6,9-10H2,1H3,(H,20,21)
InChIKey AABHUTNHCDLFHO-UHFFFAOYSA-N
Mol Weight 324.81 g/mol
Molecular Formula C16H21ClN2O3
Exact Mass 324.12407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LsFyqapRIL
Name 5-[6-Chloro-1-(3-methoxypropyl)-1,3-benzodiazol-2-yl]pentanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.124070241 u
Formula C16H21ClN2O3
InChI InChI=1S/C16H21ClN2O3/c1-22-10-4-9-19-14-11-12(17)7-8-13(14)18-15(19)5-2-3-6-16(20)21/h7-8,11H,2-6,9-10H2,1H3,(H,20,21)
InChIKey AABHUTNHCDLFHO-UHFFFAOYSA-N
Molecular Weight 324.808 g/mol
SMILES C1=C2C(=CC=C1Cl)N=C(N2CCCOC)CCCCC(O)=O