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5-(4-Chlorophenyl)-1,3-dimethylpyrazolo[3',4':6,7]azepino[5,4,3-cd]indole
SpectraBase Compound ID JNfbj2mZAeM
InChI InChI=1S/C20H15ClN4/c1-11-18-20(25(2)24-11)15-10-22-16-5-3-4-14(17(15)16)19(23-18)12-6-8-13(21)9-7-12/h3-10,22H,1-2H3
InChIKey MXDCPBSMSIXPDO-UHFFFAOYSA-N
Mol Weight 346.82 g/mol
Molecular Formula C20H15ClN4
Exact Mass 346.098524 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASSG7IXk9PA
Name 5-(4-Chlorophenyl)-1,3-dimethylpyrazolo[3',4':6,7]azepino[5,4,3-cd]indole
Comments Computed using HOSE algorithm
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Exact Mass 346.098524199 u
Formula C20H15ClN4
InChI InChI=1S/C20H15ClN4/c1-11-18-20(25(2)24-11)15-10-22-16-5-3-4-14(17(15)16)19(23-18)12-6-8-13(21)9-7-12/h3-10,22H,1-2H3
InChIKey MXDCPBSMSIXPDO-UHFFFAOYSA-N
Molecular Weight 346.821 g/mol
SMILES C12=C(C=3C=4C(=CC=CC4C(=N2)C2=CC=C(C=C2)Cl)NC3)N(C)N=C1C