| SpectraBase Spectrum ID |
3ieSfkH2Ocj |
| Name |
Benzo[G]chrysene-3,4-diol, 3,4-dihydro-, diacetate, trans-(.+-.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.136159120 u |
| Formula |
C26H20O4 |
| InChI |
InChI=1S/C26H20O4/c1-15(27)29-23-14-13-22-24-18-8-4-3-7-17(18)11-12-21(24)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 |
VUMVWZHUYLIONA-JYFHCDHNSA-N |
| Molecular Weight |
396.442 g/mol |
| SMILES |
C=12C(=C3C=4C(=CC=CC4)C=CC3=C3C1C=CC=C3)C=C[C@@]([C@]2(OC(=O)C)[H])(OC(=O)C)[H] |
![Benzo[g]chrysene-3,4-diol, 3,4-dihydro-, diacetate, trans-(.+-.)-](/api/spectrum/3ieSfkH2Ocj/structure.png?h=300&w=458 "Benzo[g]chrysene-3,4-diol, 3,4-dihydro-, diacetate, trans-(.+-.)-")
