| SpectraBase Spectrum ID |
GpUiuBqwqh6 |
| 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 |
| 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 |
| Number of Peaks |
50 |
| RI1 |
1727 |
| SMILES |
C1(OC)=C(C)C(C(C(C1(C)C)=O)C(C(C)C)=O)=O |
| SPLASH |
splash10-000l-9350000000-9c5497fb1498ba7fa806 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
4-Cyclohexene-1,3-dione, 5-methoxy-4,6,6-trimethyl-2-(2-methyl-1-oxopropyl)- |
| Wiley ID |
LM_FFNSC3_2733 |
