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4-Nitropyrene
SpectraBase Compound ID CnQ4az0GYNi
InChI InChI=1S/C16H9NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H
InChIKey UISKIUIWPSPSAV-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C16H9NO2
Exact Mass 247.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGtkiiVGQhm
Name Pyrene, 4-nitro-
Alternate Name(s) 4-Nitropyrene BRN 1979733 CCRIS 4231
CAS Registry Number 57835-92-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9NO2
InChI InChI=1S/C16H9NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H
InChIKey UISKIUIWPSPSAV-UHFFFAOYSA-N
Molecular Weight 247.253 g/mol
SMILES c1(N(=O)=O)c2c3c(ccc4c3c(c1)ccc4)ccc2
SPLASH splash10-0udi-0390000000-c0214e3403489c595133
Source of Spectrum J-61-5273-9
Wiley ID 1250225