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(6-nitrobenzo[a]pyren-7-yl) acetate
SpectraBase Compound ID KGaiiXuIbNF
InChI InChI=1S/C22H13NO4/c1-12(24)27-18-7-3-6-15-16-10-8-13-4-2-5-14-9-11-17(20(16)19(13)14)22(21(15)18)23(25)26/h2-11H,1H3
InChIKey OLSYDJUQRUQUFT-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 6Z1UQiqGlUK
Name (6-nitrobenzo[a]pyren-7-yl) acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H13NO4
InChI InChI=1S/C22H13NO4/c1-12(24)27-18-7-3-6-15-16-10-8-13-4-2-5-14-9-11-17(20(16)19(13)14)22(21(15)18)23(25)26/h2-11H,1H3
InChIKey OLSYDJUQRUQUFT-UHFFFAOYSA-N
Molecular Weight 355.349 g/mol
SMILES c1(c2c(cccc2OC(=O)C)c2c3c1ccc1cccc(c31)cc2)N(=O)=O
SPLASH splash10-08fr-0019000000-b00067f97c96bd310ba4
Source of Spectrum OP-27-598-4
Synonyms (6-nitrobenzo[a]pyren-7-yl) ethanoate Acetic acid (6-nitro-7-benzo[a]pyrenyl) ester Acetic acid (6-nitrobenzo[a]pyren-7-yl) ester
Wiley ID 850641