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1,4-Benzodiazepin-2(1H,3H)-one, 7-chloro-3-ethyl-1-methyl-5-phenyl-
SpectraBase Compound ID 5ejYI08dWHy
InChI InChI=1S/C18H17ClN2O/c1-3-15-18(22)21(2)16-10-9-13(19)11-14(16)17(20-15)12-7-5-4-6-8-12/h4-11,15H,3H2,1-2H3
InChIKey CMQMFMQDAYRPJW-UHFFFAOYSA-N
Mol Weight 312.8 g/mol
Molecular Formula C18H17ClN2O
Exact Mass 312.102941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FO9ABZL2bZ4
Name 1,4-Benzodiazepin-2(1H,3H)-one, 7-chloro-3-ethyl-1-methyl-5-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 312.102940874 u
Formula C18H17ClN2O
InChI InChI=1S/C18H17ClN2O/c1-3-15-18(22)21(2)16-10-9-13(19)11-14(16)17(20-15)12-7-5-4-6-8-12/h4-11,15H,3H2,1-2H3
InChIKey CMQMFMQDAYRPJW-UHFFFAOYSA-N
Molecular Weight 312.800 g/mol
SMILES C12=C(N(C(C(N=C2C2=CC=CC=C2)CC)=O)C)C=CC(=C1)Cl