| SpectraBase Spectrum ID |
1B0DwtaWoK |
| Name |
Davanafuran |
| CAS Registry Number |
56586-07-3 |
| 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 |
220.146329882 u |
| Formula |
C14H20O2 |
| 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/C14H20O2/c1-5-14(4)9-8-13(16-14)11(3)12-7-6-10(2)15-12/h5-7,11,13H,1,8-9H2,2-4H3/t11-,13+,14+/m1/s1 |
| InChIKey |
RZQBBGYIEUNQIV-XBFCOCLRSA-N |
| Molecular Weight |
220.312 g/mol |
| Nominal Mass |
220 u |
| Number of Peaks |
55 |
| SMILES |
C1C[C@@](O[C@@]1(C)C=C)([H])[C@](C)(c1oc(cc1)C)[H] |
| SPLASH |
splash10-0a4l-9700000000-7f8e620cbad34549e717 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000454 |
