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1/2-Nitro-6-chlorobenzo[a]pyrene
SpectraBase Compound ID 5S57BEM2A1k
InChI InChI=1S/C20H10ClNO2/c21-20-16-4-2-1-3-14(16)15-7-5-11-9-13(22(23)24)10-12-6-8-17(20)19(15)18(11)12/h1-10H
InChIKey WHQAWYOWONMSNQ-UHFFFAOYSA-N
Mol Weight 331.76 g/mol
Molecular Formula C20H10ClNO2
Exact Mass 331.040006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVRwLc0lyIo
Name 1/2-Nitro-6-chlorobenzo[a]pyrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H10ClNO2
InChI InChI=1S/C20H10ClNO2/c21-20-16-4-2-1-3-14(16)15-7-5-11-9-13(22(23)24)10-12-6-8-17(20)19(15)18(11)12/h1-10H
InChIKey WHQAWYOWONMSNQ-UHFFFAOYSA-N
Molecular Weight 331.758 g/mol
SMILES c12c3c(Cl)c4c(c2ccc2c1c(cc(N(=O)=O)c2)cc3)cccc4
SPLASH splash10-0f8i-0079000000-a781e58b7b4d33a7b3eb
Source of Spectrum CRT-6-658-2a/2b
Synonyms 6-Chloro-2-nitro-benzo[def]chrysene
Wiley ID 1709332