![TRANS-7,8-DIHYDROBENZO-[A]-PYREN-7,8-DIOL](/api/spectrum/CuZxRW2b4Kh/structure.png?h=300&w=458 "TRANS-7,8-DIHYDROBENZO-[A]-PYREN-7,8-DIOL")
| SpectraBase Compound ID | 2OiXSlWJvTu |
|---|---|
| InChI | InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20-/m1/s1 |
| InChIKey | YDXRLMMGARHIIC-YLJYHZDGSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C20H14O2 |
| Exact Mass | 286.09938 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CuZxRW2b4Kh |
|---|---|
| Name | Benzo[a]pyrene-7,8-diol, 7,8-dihydro-, (7R-trans)- |
| Alternate Name(s) | (-)-7beta,8.alpha.-dihydroxy-7,8-dihydrobenzo(a)pyrene (-)-7R,8R-Dihydroxy-7,8-dihydrobenzo(a)pyrene (-)-Benzo(a)pyrene-7R,8R-dihydrodiol (-)-trans-7,8-Dihydrobenzo(a)pyrene-7,8-diol (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene (-)-trans-BP 7,8-dihydrodiol (-)trans-7,8-diol-9,10-epoxide-benzo[a]pyrene 7,8-Dihydrobenzo[def]chrysene-5,6-diol Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-, (-)-trans- Benzo(a)pyrene-7,8-diol, 7,8-dihydro-, (7R,8R)- CCRIS 791 |
| CAS Registry Number | 60864-95-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H14O2 |
| InChI | InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20-/m1/s1 |
| InChIKey | YDXRLMMGARHIIC-YLJYHZDGSA-N |
| Molecular Weight | 286.330 g/mol |
| SMILES | O[C@@]1(c2c(C=C[C@]1(O)[H])c1ccc3c4c1c(c2)ccc4ccc3)[H] |
| SPLASH | splash10-00ku-0090000000-dd811226c2477424cb08 |
| Source of Spectrum | KO-9-100-1 |
| Wiley ID | 1290324 |