![3-Methoxybenzo[a]pyrene](/api/spectrum/6NfCiygIJdE/structure.png?h=300&w=458 "3-Methoxybenzo[a]pyrene")
| SpectraBase Compound ID | BXfSSztyssT |
|---|---|
| InChI | InChI=1S/C21H14O/c1-22-19-11-8-13-6-9-17-16-5-3-2-4-14(16)12-15-7-10-18(19)20(13)21(15)17/h2-12H,1H3 |
| InChIKey | YVMDKKLTTOBGIC-UHFFFAOYSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C21H14O |
| Exact Mass | 282.104465 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6NfCiygIJdE |
|---|---|
| Name | 3-Methoxybenzo[a]pyrene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H14O |
| InChI | InChI=1S/C21H14O/c1-22-19-11-8-13-6-9-17-16-5-3-2-4-14(16)12-15-7-10-18(19)20(13)21(15)17/h2-12H,1H3 |
| InChIKey | YVMDKKLTTOBGIC-UHFFFAOYSA-N |
| Molecular Weight | 282.342 g/mol |
| SMILES | c12c3c4ccccc4cc2ccc2c1c(cc3)ccc2OC |
| SPLASH | splash10-015i-0090000000-5d6242165a74f18821cd |
| Source of Spectrum | KO-15-487-0 |
| Wiley ID | 1286560 |