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Benzo[a]pyren-6-ol, acetate
SpectraBase Compound ID LuCpe8OBsZB
InChI InChI=1S/C22H14O2/c1-13(23)24-22-18-8-3-2-7-16(18)17-11-9-14-5-4-6-15-10-12-19(22)21(17)20(14)15/h2-12H,1H3
InChIKey PSUANBYSDSSXCT-UHFFFAOYSA-N
Mol Weight 310.35 g/mol
Molecular Formula C22H14O2
Exact Mass 310.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVrjvuv38b3
Name Benzo[a]pyren-6-ol, acetate
CAS Registry Number 53555-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14O2
InChI InChI=1S/C22H14O2/c1-13(23)24-22-18-8-3-2-7-16(18)17-11-9-14-5-4-6-15-10-12-19(22)21(17)20(14)15/h2-12H,1H3
InChIKey PSUANBYSDSSXCT-UHFFFAOYSA-N
Molecular Weight 310.352 g/mol
SMILES CC(Oc1c2c3c4c(cccc4ccc3c3c1cccc3)cc2)=O
SPLASH splash10-014i-0091000000-38095728aa224ed78876
Source of Spectrum KC-1988-3173-16
Synonyms 6-Acetoxy-benzo(a)pyrene Acetic acid 6-benzo[b]pyrenyl ester Acetic acid benzo[b]pyren-6-yl ester benzo[b]pyren-6-yl acetate benzo[b]pyren-6-yl ethanoate BRN 2058877 CCRIS 731 NSC 31001
Wiley ID 1312070