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7-Oxo-3-nitrocyclohexano[a]pyrene
SpectraBase Compound ID DuHRwXkA2tf
InChI InChI=1S/C20H13NO3/c22-18-3-1-2-13-14-7-4-11-6-9-17(21(23)24)15-8-5-12(10-16(13)18)20(14)19(11)15/h4-10H,1-3H2
InChIKey VYJJXGOCUDGSFP-UHFFFAOYSA-N
Mol Weight 315.33 g/mol
Molecular Formula C20H13NO3
Exact Mass 315.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2C381KPiqkZ
Name 7-Oxo-3-nitrocyclohexano[a]pyrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13NO3
InChI InChI=1S/C20H13NO3/c22-18-3-1-2-13-14-7-4-11-6-9-17(21(23)24)15-8-5-12(10-16(13)18)20(14)19(11)15/h4-10H,1-3H2
InChIKey VYJJXGOCUDGSFP-UHFFFAOYSA-N
Molecular Weight 315.328 g/mol
SMILES c12c3c4CCCC(c4cc2ccc2c1c(cc3)ccc2N(=O)=O)=O
SPLASH splash10-014i-0089000000-e91d003966921fc78504
Source of Spectrum OP-27-597-2
Wiley ID 850645