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Benzo[g]chrysene-5,6-diol, 5,6-dihydro-, diacetate, trans-(.+-.)-
SpectraBase Compound ID 2ZBS1Vo13k5
InChI InChI=1S/C26H20O4/c1-15(27)29-23-14-13-22-21-12-11-17-7-3-4-8-18(17)24(21)19-9-5-6-10-20(19)25(22)26(23)30-16(2)28/h3-14,23,26H,1-2H3/t23-,26+/m0/s1
InChIKey MGIQRDZZMIGVER-JYFHCDHNSA-N
Mol Weight 396.44 g/mol
Molecular Formula C26H20O4
Exact Mass 396.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuUupFnHjn4
Name Benzo[g]chrysene-5,6-diol, 5,6-dihydro-, diacetate, trans-(.+-.)-
CAS Registry Number 110971-61-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20O4
InChI InChI=1S/C26H20O4/c1-15(27)29-23-14-13-22-21-12-11-17-7-3-4-8-18(17)24(21)19-9-5-6-10-20(19)25(22)26(23)30-16(2)28/h3-14,23,26H,1-2H3/t23-,26+/m0/s1
InChIKey MGIQRDZZMIGVER-JYFHCDHNSA-N
Molecular Weight 396.442 g/mol
SMILES c12c(c3ccc4c(c3c3c2cccc3)cccc4)C=C[C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-01ox-0091000000-6114c9c67c64d499864b
Source of Spectrum J-52-5581-18
Synonyms (5S,6S)-5-(acetyloxy)-5,6-dihydrobenzo[g]chrysen-6-yl acetate trans-5,6-diacetoxy-5,6-dihydrobenzo[g]chrysene
Wiley ID 1367675