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1H-Pyrrole, 2-(2-bromo-2-nitro-1-phenylethyl)-1-methyl-
SpectraBase Compound ID 4Yi4VHcI2sF
InChI InChI=1S/C13H13BrN2O2/c1-15-9-5-8-11(15)12(13(14)16(17)18)10-6-3-2-4-7-10/h2-9,12-13H,1H3
InChIKey MSSQDNODFAMHGV-UHFFFAOYSA-N
Mol Weight 309.16 g/mol
Molecular Formula C13H13BrN2O2
Exact Mass 308.016041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3mFgQEiLMy
Name 1H-Pyrrole, 2-(2-bromo-2-nitro-1-phenylethyl)-1-methyl-
Alternate Name(s) 2-(2-Bromo-2-nitro-1-phenylethan-1-yl)-1-methylpyrrole 2-(2-bromo-2-nitro-1-phenylethyl)-1-methyl-1H-pyrrole
CAS Registry Number 112616-83-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrN2O2
InChI InChI=1S/C13H13BrN2O2/c1-15-9-5-8-11(15)12(13(14)16(17)18)10-6-3-2-4-7-10/h2-9,12-13H,1H3
InChIKey MSSQDNODFAMHGV-UHFFFAOYSA-N
Molecular Weight 309.163 g/mol
SMILES C(c1[n](ccc1)C)(C(N(=O)=O)Br)c1ccccc1
SPLASH splash10-00di-0905000000-e8e2655e893581210e5b
Source of Spectrum F-43-1119-4
Wiley ID 1309402