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3-(2'-Nitroethyl)-1-methyl-4-[3',3'-diethoxy-1'-propyn-1'-yl]indole
SpectraBase Compound ID FUlkMoMFqiU
InChI InChI=1S/C18H22N2O4/c1-4-23-17(24-5-2)10-9-14-7-6-8-16-18(14)15(13-19(16)3)11-12-20(21)22/h6-8,13,17H,4-5,11-12H2,1-3H3
InChIKey FKOVGLZAPXRSII-UHFFFAOYSA-N
Mol Weight 330.38 g/mol
Molecular Formula C18H22N2O4
Exact Mass 330.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oWp77sWzQ
Name 3-(2'-Nitroethyl)-1-methyl-4-[3',3'-diethoxy-1'-propyn-1'-yl]indole
Alternate Name(s) 4-(3,3-diethoxy-1-propynyl)-1-methyl-3-(2-nitroethyl)-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O4
InChI InChI=1S/C18H22N2O4/c1-4-23-17(24-5-2)10-9-14-7-6-8-16-18(14)15(13-19(16)3)11-12-20(21)22/h6-8,13,17H,4-5,11-12H2,1-3H3
InChIKey FKOVGLZAPXRSII-UHFFFAOYSA-N
Molecular Weight 330.384 g/mol
SMILES c1(c[n](C)c2c1c(C#CC(OCC)OCC)ccc2)CCN(=O)=O
SPLASH splash10-001r-0597000000-5acb2c1c5257865d054e
Source of Spectrum U-1997-1974-29
Wiley ID 770168