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7-OAc-1-nitro-BaP
SpectraBase Compound ID vwPjeutV34
InChI InChI=1S/C22H13NO4/c1-12(24)27-20-4-2-3-15-16-8-9-17-19(23(25)26)10-7-13-5-6-14(11-18(15)20)22(16)21(13)17/h2-11H,1H3
InChIKey JDWFKAMSVBFFRZ-UHFFFAOYSA-N
Mol Weight 355.35 g/mol
Molecular Formula C22H13NO4
Exact Mass 355.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KweLIiWKBsS
Name 7-OAc-1-nitro-BaP
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H13NO4
InChI InChI=1S/C22H13NO4/c1-12(24)27-20-4-2-3-15-16-8-9-17-19(23(25)26)10-7-13-5-6-14(11-18(15)20)22(16)21(13)17/h2-11H,1H3
InChIKey JDWFKAMSVBFFRZ-UHFFFAOYSA-N
Molecular Weight 355.349 g/mol
SMILES c12c3c4cccc(c4cc2ccc2c1c(c(N(=O)=O)cc2)cc3)OC(=O)C
SPLASH splash10-03di-0049000000-92030ea2c7f7721184fb
Source of Spectrum OP-27-598-4
Synonyms 1-Nitrobenzo[def]chrysen-7-yl acetate 7-Acetoxy-1-nitrobenzo[a]pyrene
Wiley ID 850643