| SpectraBase Spectrum ID |
Heo6NBOhZye |
| Name |
Octanedioic acid, diethyl ester |
| CAS Registry Number |
2050-23-9 |
| 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 |
230.151809184 u |
| Formula |
C12H22O4 |
| InChI |
InChI=1S/C12H22O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h3-10H2,1-2H3 |
| InChIKey |
PEUGOJXLBSIJQS-UHFFFAOYSA-N |
| Molecular Weight |
230.304 g/mol |
| Number of Peaks |
50 |
| RI1 |
1587 |
| SMILES |
C(=O)(CCCCCCC(OCC)=O)OCC |
| SPLASH |
splash10-052o-9400000000-7720e0fcd6f9945490b5 |
| 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 |
Octanedioic acid, 1,8-diethyl ester |
| Wiley ID |
LM_FFNSC3_2699 |
