| SpectraBase Spectrum ID |
4ziepp2G00 |
| Name |
Isopimpinellin |
| CAS Registry Number |
482-27-9 |
| 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 |
246.052823417 u |
| Formula |
C13H10O5 |
| 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/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3 |
| InChIKey |
DFMAXQKDIGCMTL-UHFFFAOYSA-N |
| Molecular Weight |
246.218 g/mol |
| Nominal Mass |
246 u |
| Number of Peaks |
155 |
| SMILES |
COc1c2c(c(c3c1occ3)OC)C=CC(O2)=O |
| SPLASH |
splash10-000t-6690000000-19e35d0fd80fafc93280 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000772 |
