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3-(2'-Nitroethyl)-4-[1'-hexyn-1'-yl]indole
SpectraBase Compound ID NbU3LNsLye
InChI InChI=1S/C16H18N2O2/c1-2-3-4-5-7-13-8-6-9-15-16(13)14(12-17-15)10-11-18(19)20/h6,8-9,12,17H,2-4,10-11H2,1H3
InChIKey XPGDJWPHXJOXLF-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C16H18N2O2
Exact Mass 270.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eqp302dDoFi
Name 3-(2'-Nitroethyl)-4-[1'-hexyn-1'-yl]indole
Alternate Name(s) 4-(1-hexynyl)-3-(2-nitroethyl)-1H-indole
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Formula C16H18N2O2
InChI InChI=1S/C16H18N2O2/c1-2-3-4-5-7-13-8-6-9-15-16(13)14(12-17-15)10-11-18(19)20/h6,8-9,12,17H,2-4,10-11H2,1H3
InChIKey XPGDJWPHXJOXLF-UHFFFAOYSA-N
Molecular Weight 270.332 g/mol
SMILES [nH]1c2c(c(c1)CCN(=O)=O)c(ccc2)C#CCCCC
SPLASH splash10-00di-0690000000-495bc6cf222a1cd84256
Source of Spectrum U-1997-1974-24
Wiley ID 770172