| SpectraBase Compound ID | 9951iBIPQK8 |
|---|---|
| InChI | InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H |
| InChIKey | FMMWHPNWAFZXNH-UHFFFAOYSA-N |
| Mol Weight | 252.32 g/mol |
| Molecular Formula | C20H12 |
| Exact Mass | 252.0939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9ArIykbbxoj |
|---|---|
| Name | Benzo[a]pyrene |
| CAS Registry Number | 50-32-8 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H12 |
| InChI | InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H |
| InChIKey | FMMWHPNWAFZXNH-UHFFFAOYSA-N |
| Molecular Weight | 252.316 g/mol |
| SMILES | c1cc2c(c3c4c5c(cc3)cccc5ccc4c2)cc1 |
| SPLASH | splash10-0udi-0090000000-62d9d624b1050c59db65 |
| Source of Spectrum | QC-23-1101-0 |
| Synonyms | 1,2-Benzpyrene 3,4-Benzo(a)pyrene 3,4-Benzopirene 3,4-Benzopyrene 3,4-Benzopyrene (carcinogen) 3,4-Benzpyren 3,4-Benzpyrene 3,4-Benzypyrene 3,4-Benz[a]pyrene 3,4-BP 4,5-Benzpyrene 6,7-Benzopyrene B(A)P Benzopyrene Benzo[d,e,f]chrysene Benzpyrene Benz[a]pyrene B[A]P Coal tar pitch volatiles: Benzo(a)pyrene AI3-50461 CCRIS 76 EINECS 200-028-5 HSDB 2554 NSC 21914 RCRA WASTE NO. U022 |
| Wiley ID | 1583929 |