| SpectraBase Spectrum ID |
1w0vpEEVAQD |
| Name |
Tasmanone |
| CAS Registry Number |
22595-52-4 |
| 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 |
252.136159120 u |
| Formula |
C14H20O4 |
| 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/C14H20O4/c1-7(2)10(15)9-11(16)8(3)13(18-6)14(4,5)12(9)17/h7,9H,1-6H3 |
| InChIKey |
WZXQWLWGLWIQGK-UHFFFAOYSA-N |
| Molecular Weight |
252.310 g/mol |
| Nominal Mass |
252 u |
| Number of Peaks |
199 |
| SMILES |
COC1=C(C(C(C(C1(C)C)=O)C(C(C)C)=O)=O)C |
| SPLASH |
splash10-000l-9450000000-2ecb5c471057c31c06fc |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001292 |
