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1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol
SpectraBase Compound ID LC3KzlthoFW
InChI InChI=1S/C20H15NO4/c22-17-8-6-12-13-4-5-14-16(21(24)25)7-3-10-1-2-11(19(13)18(10)14)9-15(12)20(17)23/h1-5,7,9,17,20,22-23H,6,8H2
InChIKey QTNIXPKSIXWXPR-UHFFFAOYSA-N
Mol Weight 333.34 g/mol
Molecular Formula C20H15NO4
Exact Mass 333.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wbmhAEP31u
Name 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15NO4
InChI InChI=1S/C20H15NO4/c22-17-8-6-12-13-4-5-14-16(21(24)25)7-3-10-1-2-11(19(13)18(10)14)9-15(12)20(17)23/h1-5,7,9,17,20,22-23H,6,8H2
InChIKey QTNIXPKSIXWXPR-UHFFFAOYSA-N
Molecular Weight 333.343 g/mol
SMILES OC1C(CCc2c3c4c(cc12)ccc1c4c(cc3)c(cc1)N(=O)=O)O
SPLASH splash10-03yi-0095000000-9c2b4d8f690f50daff85
Source of Spectrum J-58-7285-7
Wiley ID 1330331