| SpectraBase Spectrum ID |
LeB0wHhD3p7 |
| Name |
Bergaptene |
| CAS Registry Number |
482-48-4 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
216.042258734 u |
| Formula |
C12H8O4 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3 |
| InChIKey |
AJSPSRWWZBBIOR-UHFFFAOYSA-N |
| Molecular Weight |
216.192 g/mol |
| Nominal Mass |
216 u |
| Number of Peaks |
137 |
| SMILES |
COc1c2c(c3c(c1)occ3)OC(C=C2)=O |
| SPLASH |
splash10-014i-9770000000-bdc9bda4d926af7b6c95 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000165 |
