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1H-Indole, 1-(4-nitrobutyl)-
SpectraBase Compound ID F2nA3Gh5Gpm
InChI InChI=1S/C12H14N2O2/c15-14(16)9-4-3-8-13-10-7-11-5-1-2-6-12(11)13/h1-2,5-7,10H,3-4,8-9H2
InChIKey TYANSGWGHIKALD-UHFFFAOYSA-N
Mol Weight 218.26 g/mol
Molecular Formula C12H14N2O2
Exact Mass 218.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OTyh6Sbpuq
Name 1H-Indole, 1-(4-nitrobutyl)-
Alternate Name(s) 1-(4-Nitrobutyl)-1H-indole 1-(4-Nitrobutyl)indole
CAS Registry Number 131322-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O2
InChI InChI=1S/C12H14N2O2/c15-14(16)9-4-3-8-13-10-7-11-5-1-2-6-12(11)13/h1-2,5-7,10H,3-4,8-9H2
InChIKey TYANSGWGHIKALD-UHFFFAOYSA-N
Molecular Weight 218.256 g/mol
SMILES c1ccc2c(c1)cc[n]2CCCCN(=O)=O
SPLASH splash10-00lr-0960000000-500de687720f9df8b037
Source of Spectrum J-56-899-5
Wiley ID 1217564