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3-[5-(1-Naphthylmethyloxy)indol-3-yl]-2-nitro-4-(methyoxymethyl)butanoic acid ethyl ester
SpectraBase Compound ID 7hr4w934aSs
InChI InChI=1S/C26H26N2O6/c1-3-33-26(29)25(28(30)31)23(16-32-2)22-14-27-24-12-11-19(13-21(22)24)34-15-18-9-6-8-17-7-4-5-10-20(17)18/h4-14,23,25,27H,3,15-16H2,1-2H3
InChIKey UQFYTESNWOSIEM-UHFFFAOYSA-N
Mol Weight 462.5 g/mol
Molecular Formula C26H26N2O6
Exact Mass 462.179087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzUNVmmPCvB
Name 3-[5-(1-Naphthylmethyloxy)indol-3-yl]-2-nitro-4-(methyoxymethyl)butanoic acid ethyl ester
Alternate Name(s) 4-methoxy-3-[5-(1-naphthalenylmethoxy)-1H-indol-3-yl]-2-nitrobutanoic acid ethyl ester ethyl 4-methoxy-3-[5-(naphthalen-1-ylmethoxy)-1H-indol-3-yl]-2-nitrobutanoate ethyl 4-methoxy-3-[5-(1-naphthylmethoxy)-1H-indol-3-yl]-2-nitro-butanoate ethyl 4-methoxy-3-[5-(naphthalen-1-ylmethoxy)-1H-indol-3-yl]-2-nitro-butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C26H26N2O6
InChI InChI=1S/C26H26N2O6/c1-3-33-26(29)25(28(30)31)23(16-32-2)22-14-27-24-12-11-19(13-21(22)24)34-15-18-9-6-8-17-7-4-5-10-20(17)18/h4-14,23,25,27H,3,15-16H2,1-2H3
InChIKey UQFYTESNWOSIEM-UHFFFAOYSA-N
Molecular Weight 462.502 g/mol
SMILES [nH]1c2c(c(c1)C(C(N(=O)=O)C(=O)OCC)COC)cc(cc2)OCc1c2c(cccc2)ccc1
SPLASH splash10-0006-0900000000-040b1aa412d18fd355ed
Source of Spectrum F2-41-2547-11
Wiley ID 1599726