| SpectraBase Spectrum ID |
HhaUK4GBclq |
| Name |
Malonate |
| Source of Sample |
SAFC Cat.no. W237507 |
| CAS Registry Number |
105-53-3 |
| 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 |
160.073558862 u |
| Formula |
C7H12O4 |
| InChI |
InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3 |
| InChIKey |
IYXGSMUGOJNHAZ-UHFFFAOYSA-N |
| Molecular Weight |
160.169 g/mol |
| Number of Peaks |
50 |
| RI1 |
1071 |
| RI2 |
744 |
| RI3 |
975 |
| RI4 |
929 |
| RI5 |
1047 |
| SMILES |
CCOC(CC(OCC)=O)=O |
| SPLASH |
splash10-00kf-9500000000-c6dd29f2503c85aae7c6 |
| 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, diethyl ester |
| Wiley ID |
LM_FFNSC3_50 |
