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trans-11,12-Dihydroxy-syn-13,14-epoxy-11,12,13,14-tetrahydrobenzo[g]chrysene
SpectraBase Compound ID CI72RZmbX2C
InChI InChI=1S/C22H16O3/c23-19-16-10-9-15-13-7-2-1-5-11(13)12-6-3-4-8-14(12)17(15)18(16)21-22(25-21)20(19)24/h1-10,19-24H/t19-,20+,21+,22-/m1/s1
InChIKey GZHHSQMUVHHNOY-CLAROIROSA-N
Mol Weight 328.37 g/mol
Molecular Formula C22H16O3
Exact Mass 328.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5W4bCnlRkHs
Name trans-11,12-Dihydroxy-syn-13,14-epoxy-11,12,13,14-tetrahydrobenzo[g]chrysene
Comments Less than 3 mono-isotopic peaks
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Formula C22H16O3
InChI InChI=1S/C22H16O3/c23-19-16-10-9-15-13-7-2-1-5-11(13)12-6-3-4-8-14(12)17(15)18(16)21-22(25-21)20(19)24/h1-10,19-24H/t19-,20+,21+,22-/m1/s1
InChIKey GZHHSQMUVHHNOY-CLAROIROSA-N
Molecular Weight 328.367 g/mol
SMILES O[C@@]1([C@@]2([C@](c3c4c(ccc3[C@]1(O)[H])c1ccccc1c1c4cccc1)(O2)[H])[H])[H]
SPLASH splash10-03di-0009000000-03ec4249a3b93f03e714
Source of Spectrum J-60-6127-3
Synonyms (2aS,3aS)-1,2,2a,3a-tetrahydrobenzo[5,6]chryseno[3,4-b]oxirene-1,2-diol trans-11,12-Dihydroxy-anti-13,14-epoxy-11,12,13,14-tetrahydrobenzo[g]chrysene
Wiley ID 1326733