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1-[2-(4-chloro-2-methylphenoxy)propanoyl]-1H-1,2,3-benzotriazole

View entire compound with spectra: 2 NMR

1-[2-(4-chloro-2-methylphenoxy)propanoyl]-1H-1,2,3-benzotriazole
SpectraBase Compound ID KdiKPO4R45p
InChI InChI=1S/C16H14ClN3O2/c1-10-9-12(17)7-8-15(10)22-11(2)16(21)20-14-6-4-3-5-13(14)18-19-20/h3-9,11H,1-2H3
InChIKey WNXVKDAPKVUFEL-UHFFFAOYSA-N
Mol Weight 315.76 g/mol
Molecular Formula C16H14ClN3O2
Exact Mass 315.077454 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 12aOpoojIoN
Name 1-[2-(4-Chloro-2-methylphenoxy)propanoyl]-1H-1,2,3-benzotriazole
Comments Computed using HOSE algorithm
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Exact Mass 315.077454401 u
Formula C16H14ClN3O2
InChI InChI=1S/C16H14ClN3O2/c1-10-9-12(17)7-8-15(10)22-11(2)16(21)20-14-6-4-3-5-13(14)18-19-20/h3-9,11H,1-2H3
InChIKey WNXVKDAPKVUFEL-UHFFFAOYSA-N
Molecular Weight 315.760 g/mol
SMILES C=1C=CC=2N(N=NC2C1)C(C(OC=1C(=CC(=CC1)Cl)C)C)=O