| SpectraBase Spectrum ID |
1VvhVySQa30 |
| Name |
Fructone |
| CAS Registry Number |
6413-10-1 |
| 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 |
174.089208927 u |
| Formula |
C8H14O4 |
| InChI |
InChI=1S/C8H14O4/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3 |
| InChIKey |
XWEOGMYZFCHQNT-UHFFFAOYSA-N |
| Molecular Weight |
174.196 g/mol |
| Number of Peaks |
50 |
| RI1 |
1152 |
| RI2 |
829 |
| RI3 |
1069 |
| RI4 |
1026 |
| SMILES |
C1(OCCO1)(CC(=O)OCC)C |
| SPLASH |
splash10-000l-9100000000-d5e9879c9168a0741c72 |
| 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 |
1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester |
| Wiley ID |
LM_FFNSC3_1321 |
