| SpectraBase Spectrum ID |
8SCOKYoTduJ |
| Name |
Bergaptene |
| CAS Registry Number |
484-20-8 |
| 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/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 |
| InChIKey |
BGEBZHIAGXMEMV-UHFFFAOYSA-N |
| Molecular Weight |
216.192 g/mol |
| Nominal Mass |
216 u |
| Number of Peaks |
147 |
| SMILES |
COc1c2c(cc3c1cco3)OC(C=C2)=O |
| SPLASH |
splash10-0gi0-7970000000-d5cd7a8a5b05e678013a |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000164 |
