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5-(1-Benzyl-6-chloro-1,3-benzodiazol-2-yl)pentanoic acid

View entire compound with spectra: 1 NMR

5-(1-Benzyl-6-chloro-1,3-benzodiazol-2-yl)pentanoic acid
SpectraBase Compound ID Led0jwAYTnr
InChI InChI=1S/C19H19ClN2O2/c20-15-10-11-16-17(12-15)22(13-14-6-2-1-3-7-14)18(21-16)8-4-5-9-19(23)24/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,23,24)
InChIKey ICXBYASRPAHUFQ-UHFFFAOYSA-N
Mol Weight 342.83 g/mol
Molecular Formula C19H19ClN2O2
Exact Mass 342.113506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDLurcMe9C0
Name 5-(1-Benzyl-6-chloro-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 342.113505558 u
Formula C19H19ClN2O2
InChI InChI=1S/C19H19ClN2O2/c20-15-10-11-16-17(12-15)22(13-14-6-2-1-3-7-14)18(21-16)8-4-5-9-19(23)24/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,23,24)
InChIKey ICXBYASRPAHUFQ-UHFFFAOYSA-N
Molecular Weight 342.826 g/mol
SMILES C1(=CC=C2C(=C1)N(C(=N2)CCCCC(O)=O)CC1=CC=CC=C1)Cl