| SpectraBase Spectrum ID |
VEWvwz4xE |
| Name |
Canellal |
| CAS Registry Number |
66550-09-2 |
| 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 |
248.141244501 u |
| Formula |
C15H20O3 |
| 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/C15H20O3/c1-10-6-7-14(3)13(11(10)2)5-4-12(8-16)15(14,18)9-17/h4,8-10,13,18H,2,5-7H2,1,3H3/t10-,13-,14-,15+/m0/s1 |
| InChIKey |
LDAIOVKPAKFZHM-FBUXBERBSA-N |
| Molecular Weight |
248.322 g/mol |
| Nominal Mass |
248 u |
| Number of Peaks |
183 |
| SMILES |
O[C@@]1(C(=CC[C@]2(C([C@@](CC[C@]12C)([H])C)=C)[H])C=O)C=O |
| SPLASH |
splash10-014l-6940000000-f9c451fedd5d684769e6 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000250 |
