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2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[3-(morpholin-4-yl)propyl]acetamide
SpectraBase Compound ID 2Yg0x4wlt7j
InChI InChI=1S/C16H21ClN6O2/c17-14-4-2-13(3-5-14)16-19-21-23(20-16)12-15(24)18-6-1-7-22-8-10-25-11-9-22/h2-5H,1,6-12H2,(H,18,24)
InChIKey ONMZYXSQRGBENY-UHFFFAOYSA-N
Mol Weight 364.84 g/mol
Molecular Formula C16H21ClN6O2
Exact Mass 364.141452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AITRCXgr1lo
Name 2-[5-(4-Chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[3-(morpholin-4-yl)propyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 364.141451638 u
Formula C16H21ClN6O2
InChI InChI=1S/C16H21ClN6O2/c17-14-4-2-13(3-5-14)16-19-21-23(20-16)12-15(24)18-6-1-7-22-8-10-25-11-9-22/h2-5H,1,6-12H2,(H,18,24)
InChIKey ONMZYXSQRGBENY-UHFFFAOYSA-N
Molecular Weight 364.837 g/mol
SMILES C1OCCN(CCCNC(CN2N=C(N=N2)C2=CC=C(C=C2)Cl)=O)C1