| SpectraBase Spectrum ID |
AqP05LKPatW |
| Name |
Grandiflorene |
| CAS Registry Number |
50861-53-5 |
| 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 |
314.151809184 u |
| Formula |
C19H22O4 |
| 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/C19H22O4/c1-18(2)15(21)14(16(22)19(3,4)17(18)23)13(20)11-10-12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3 |
| InChIKey |
HDCYLHJYUHYIQL-UHFFFAOYSA-N |
| Molecular Weight |
314.381 g/mol |
| Nominal Mass |
314 u |
| Number of Peaks |
249 |
| SMILES |
C1(C(C(C(C(C1C(CCc1ccccc1)=O)=O)(C)C)=O)(C)C)=O |
| SPLASH |
splash10-0006-9420000000-b7902c9444b67f683e7a |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000618 |
