| SpectraBase Spectrum ID |
IMQXPybfPM6 |
| Name |
Benzo[G]chrysene-5,6-diol, 5,6-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)29-23-14-13-22-21-12-11-17-7-3-4-8-18(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 |
C1=2C(=C3C=CC=4C(C3=C3C2C=CC=C3)=CC=CC4)C=C[C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H] |
![Benzo[g]chrysene-5,6-diol, 5,6-dihydro-, diacetate, trans-(.+-.)-](/api/spectrum/IMQXPybfPM6/structure.png?h=300&w=458 "Benzo[g]chrysene-5,6-diol, 5,6-dihydro-, diacetate, trans-(.+-.)-")
