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[2-(1H-Indol-3-yl)ethyl](2,4,6-trinitrophenyl)amine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

[2-(1H-Indol-3-yl)ethyl](2,4,6-trinitrophenyl)amine
SpectraBase Compound ID H5kxz2jCnZ0
InChI InChI=1S/C16H13N5O6/c22-19(23)11-7-14(20(24)25)16(15(8-11)21(26)27)17-6-5-10-9-18-13-4-2-1-3-12(10)13/h1-4,7-9,17-18H,5-6H2
InChIKey OEJUHHGUMHIUBB-UHFFFAOYSA-N
Mol Weight 371.31 g/mol
Molecular Formula C16H13N5O6
Exact Mass 371.086583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9MoW3CQMNRZ
Name [2-(1H-Indol-3-yl)ethyl](2,4,6-trinitrophenyl)amine
Comments Computed using HOSE algorithm
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Exact Mass 371.086583153 u
Formula C16H13N5O6
InChI InChI=1S/C16H13N5O6/c22-19(23)11-7-14(20(24)25)16(15(8-11)21(26)27)17-6-5-10-9-18-13-4-2-1-3-12(10)13/h1-4,7-9,17-18H,5-6H2
InChIKey OEJUHHGUMHIUBB-UHFFFAOYSA-N
Molecular Weight 371.309 g/mol
SMILES C1(=C(C(N(=O)=O)=CC(=C1)N(=O)=O)NCCC=1C2=CC=CC=C2NC1)N(=O)=O