| SpectraBase Spectrum ID |
BRaaj7fuUc |
| Name |
Grandiflorene |
| CAS Registry Number |
50861-53-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22O4 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m 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 |
| 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 |
1886379 |
