| SpectraBase Compound ID | ALZs3oa70I4 |
|---|---|
| InChI | InChI=1S/C20H16O4/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(22)20(24)19(17)23/h1-8,17-24H |
| InChIKey | KWFVZAJQUSRMCC-UHFFFAOYSA-N |
| Mol Weight | 320.34 g/mol |
| Molecular Formula | C20H16O4 |
| Exact Mass | 320.104859 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6iejwZIZT6I |
|---|---|
| Name | (7alpha,8beta,9beta,10alpha)-7,8,9,10-tetrahydrobenzo(a)pyrene-7,8,9,10-tetrol |
| CAS Registry Number | 61490-66-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H16O4 |
| InChI | InChI=1S/C20H16O4/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(22)20(24)19(17)23/h1-8,17-24H |
| InChIKey | KWFVZAJQUSRMCC-UHFFFAOYSA-N |
| Molecular Weight | 320.344 g/mol |
| SMILES | OC1c2c(C(C(C1O)O)O)c1c3c(c2)ccc2cccc(cc1)c32 |
| SPLASH | splash10-11b9-0092000000-040eb9a6583b1eec2a73 |
| Source of Spectrum | C-99-5124-0 |
| Synonyms | 7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol Benzo(a)pyrene-7,10/8,9-tetrol Benzo(a)pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7R,8S,9R,10S)-rel- r-7,t-8,t-9,c-10-tetrahydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene |
| Wiley ID | 1320313 |