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3-[5-(1-Naphthylmethyloxy)indol-3-yl]-2-nitropentanoic acid ethyl ester
SpectraBase Compound ID 9MLnRiYkiCj
InChI InChI=1S/C26H26N2O5/c1-3-20(25(28(30)31)26(29)32-4-2)23-15-27-24-13-12-19(14-22(23)24)33-16-18-10-7-9-17-8-5-6-11-21(17)18/h5-15,20,25,27H,3-4,16H2,1-2H3
InChIKey SGSKWFDBAJLMSC-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C26H26N2O5
Exact Mass 446.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISOldjJuN5k
Name 3-[5-(1-Naphthylmethyloxy)indol-3-yl]-2-nitropentanoic acid ethyl ester
Alternate Name(s) ethyl 3-[5-(1-naphthylmethoxy)-1H-indol-3-yl]-2-nitropentanoate 3-[5-(1-naphthalenylmethoxy)-1H-indol-3-yl]-2-nitropentanoic acid ethyl ester ethyl 3-[5-(naphthalen-1-ylmethoxy)-1H-indol-3-yl]-2-nitropentanoate ethyl 3-[5-(1-naphthylmethoxy)-1H-indol-3-yl]-2-nitro-pentanoate ethyl 3-[5-(naphthalen-1-ylmethoxy)-1H-indol-3-yl]-2-nitro-pentanoate
Comments Less than 3 mono-isotopic peaks
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Formula C26H26N2O5
InChI InChI=1S/C26H26N2O5/c1-3-20(25(28(30)31)26(29)32-4-2)23-15-27-24-13-12-19(14-22(23)24)33-16-18-10-7-9-17-8-5-6-11-21(17)18/h5-15,20,25,27H,3-4,16H2,1-2H3
InChIKey SGSKWFDBAJLMSC-UHFFFAOYSA-N
Molecular Weight 446.503 g/mol
SMILES [nH]1c2ccc(cc2c(c1)C(C(C(=O)OCC)N(=O)=O)CC)OCc1cccc2ccccc12
SPLASH splash10-0006-0900000000-211c7a0d6c6425176cf2
Source of Spectrum F2-41-2547-10
Wiley ID 1599725