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6-nitrobenzo[a]pyrene

View entire compound with spectra: 2 MS (GC)

6-nitrobenzo[a]pyrene
SpectraBase Compound ID 9ckWOHX43sZ
InChI InChI=1S/C20H11NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H
InChIKey NMMAFYSZGOFZCM-UHFFFAOYSA-N
Mol Weight 297.31 g/mol
Molecular Formula C20H11NO2
Exact Mass 297.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYjKrEncomW
Name BENZO[a]PYRENE, 6-NITRO-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H11NO2
InChI InChI=1S/C20H11NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H
InChIKey NMMAFYSZGOFZCM-UHFFFAOYSA-N
Molecular Weight 297.0787
SMILES c12c3ccc4cccc5c4c3c(cc5)c(N(=O)=O)c2cccc1
SPLASH splash10-0uxs-0290000000-c2d7184ecc372a716981
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany