| SpectraBase Spectrum ID |
HVtcd9WWlvt |
| Name |
Malonate |
| CAS Registry Number |
1619-62-1 |
| 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 |
188.104858991 u |
| Formula |
C9H16O4 |
| InChI |
InChI=1S/C9H16O4/c1-5-12-7(10)9(3,4)8(11)13-6-2/h5-6H2,1-4H3 |
| InChIKey |
UELKSYXXNGHTSE-UHFFFAOYSA-N |
| Molecular Weight |
188.223 g/mol |
| Number of Peaks |
50 |
| RI1 |
1101 |
| RI2 |
776 |
| RI3 |
875 |
| RI4 |
830 |
| SMILES |
CC(C(OCC)=O)(C)C(OCC)=O |
| SPLASH |
splash10-00rl-9300000000-0d6c0be11ec621e461f9 |
| 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 |
Propanedioic acid, 2,2-dimethyl-, 1,3-diethyl ester |
| Wiley ID |
LM_FFNSC3_1880 |
