| SpectraBase Spectrum ID |
3pqWZXdNPU |
| Name |
Agarofuran |
| CAS Registry Number |
5956-12-7 |
| 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 |
220.182715392 u |
| Formula |
C15H24O |
| 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/C15H24O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12-,14+,15+/m0/s1 |
| InChIKey |
ZLQADKTVJQXDIG-NWANDNLSSA-N |
| Molecular Weight |
220.356 g/mol |
| Nominal Mass |
220 u |
| Number of Peaks |
121 |
| SMILES |
C1(O[C@@]23[C@@](CC[C@]1(C3)[H])(CCC=C2C)C)(C)C |
| SPLASH |
splash10-05gl-8930000000-5ad54fae225142a872c0 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000036 |
