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(E)-N-[5-(3-Benzyloxy-5-nitro-1H-indazole-1-yl)-3-oxapentyl]-N-methyl-3-phenyl-2-propenamine
SpectraBase Compound ID BERlr1vA2z4
InChI InChI=1S/C28H30N4O4/c1-30(16-8-13-23-9-4-2-5-10-23)17-19-35-20-18-31-27-15-14-25(32(33)34)21-26(27)28(29-31)36-22-24-11-6-3-7-12-24/h2-15,21H,16-20,22H2,1H3/b13-8+
InChIKey OMURGMBDTMHKIB-MDWZMJQESA-N
Mol Weight 486.57 g/mol
Molecular Formula C28H30N4O4
Exact Mass 486.226705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2u8xMEgLqKV
Name (E)-N-[5-(3-Benzyloxy-5-nitro-1H-indazole-1-yl)-3-oxapentyl]-N-methyl-3-phenyl-2-propenamine
Alternate Name(s) (E)-N-methyl-N-[2-[2-(5-nitro-3-phenylmethoxy-1-indazolyl)ethoxy]ethyl]-3-phenyl-2-propen-1-amine (E)-N-methyl-N-[2-[2-(5-nitro-3-phenylmethoxyindazol-1-yl)ethoxy]ethyl]-3-phenylprop-2-en-1-amine (E)-N-[2-[2-(3-benzyloxy-5-nitro-indazol-1-yl)ethoxy]ethyl]-N-methyl-3-phenyl-prop-2-en-1-amine (E)-N-methyl-N-[2-[2-(5-nitro-3-phenylmethoxy-indazol-1-yl)ethoxy]ethyl]-3-phenyl-prop-2-en-1-amine
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Formula C28H30N4O4
InChI InChI=1S/C28H30N4O4/c1-30(16-8-13-23-9-4-2-5-10-23)17-19-35-20-18-31-27-15-14-25(32(33)34)21-26(27)28(29-31)36-22-24-11-6-3-7-12-24/h2-15,21H,16-20,22H2,1H3/b13-8+
InChIKey OMURGMBDTMHKIB-MDWZMJQESA-N
Molecular Weight 486.572 g/mol
SMILES c12c(n[n](c2ccc(N(=O)=O)c1)CCOCCN(C\C=C\c1ccccc1)C)OCc1ccccc1
SPLASH splash10-014i-2900000000-1d1120c2e3d6c9fc8a8c
Source of Spectrum F2-45-2162-29
Wiley ID 1689138