| SpectraBase Spectrum ID |
Ky6uwps0tPs |
| Name |
Carvotanacetone<8-acetoxy-> |
| CAS Registry Number |
87578-93-6 |
| 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 |
210.125594437 u |
| Formula |
C12H18O3 |
| 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/C12H18O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10H,6-7H2,1-4H3 |
| InChIKey |
FTCAQUBXEGKQTD-UHFFFAOYSA-N |
| Molecular Weight |
210.273 g/mol |
| Nominal Mass |
210 u |
| Number of Peaks |
89 |
| SMILES |
C1(C(=CCC(C1)C(C)(C)OC(=O)C)C)=O |
| SPLASH |
splash10-052f-9400000000-8fa620364fcdac6ae3f8 |
| Source |
ex PETER WEYERSTAHL |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001480 |
