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

View entire compound with spectra: 1 NMR

5-[6-Chloro-1-(oxolan-2-ylmethyl)-1,3-benzodiazol-2-yl]pentanoic acid
SpectraBase Compound ID HWZvfYk7GK4
InChI InChI=1S/C17H21ClN2O3/c18-12-7-8-14-15(10-12)20(11-13-4-3-9-23-13)16(19-14)5-1-2-6-17(21)22/h7-8,10,13H,1-6,9,11H2,(H,21,22)
InChIKey GMYIGPJYISYYGO-UHFFFAOYSA-N
Mol Weight 336.82 g/mol
Molecular Formula C17H21ClN2O3
Exact Mass 336.12407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRur77HGLzm
Name 5-[6-Chloro-1-(oxolan-2-ylmethyl)-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 336.124070241 u
Formula C17H21ClN2O3
InChI InChI=1S/C17H21ClN2O3/c18-12-7-8-14-15(10-12)20(11-13-4-3-9-23-13)16(19-14)5-1-2-6-17(21)22/h7-8,10,13H,1-6,9,11H2,(H,21,22)
InChIKey GMYIGPJYISYYGO-UHFFFAOYSA-N
Molecular Weight 336.819 g/mol
SMILES C1=C2C(=CC=C1Cl)N=C(N2CC1CCCO1)CCCCC(O)=O