Pyrene
3062
Reference
Pyrene Structure
Systematic / IUPAC Name: Pyrene
ID: Reference3062
Other Names:
β-Pyrene;
Benzo[def]phenanthrene;
Pyrene[def]phenanthrene
Formula: C16H10
Class: Extractables/Leachables Textile Chemicals/Auxiliary/Dyes
Spectral Data
Pyrene mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 118 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | APCI |
| Analyzers | FT |
| Last Modification | 9/29/2015 12:32:19 PM |
Identificators
| InChI | InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H |
| InChI Key | BBEAQIROQSPTKN-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2 |
| CAS | 129000 |
| Splash | |
| Other Names |
β-Pyrene; Benzo[def]phenanthrene; Pyrene[def]phenanthrene |