| SpectraBase Spectrum ID |
2sMRtt7dG1y |
| Name |
Davanol acetate |
| 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 |
280.203844759 u |
| Formula |
C17H28O3 |
| 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/C17H28O3/c1-7-17(6)11-10-16(20-17)13(4)15(19-14(5)18)9-8-12(2)3/h7-8,13,15-16H,1,9-11H2,2-6H3/t13?,15?,16-,17-/m0/s1 |
| InChIKey |
NCXDUWRUBKJIPS-KMZOKZLKSA-N |
| Molecular Weight |
280.408 g/mol |
| Nominal Mass |
280 u |
| Number of Peaks |
187 |
| SMILES |
CC(=O)OC(C([C@@]1(CC[C@@](O1)(C=C)C)[H])C)CC=C(C)C |
| SPLASH |
splash10-052f-9300000000-52ea2f983f0db0c0a247 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000455 |
