| SpectraBase Spectrum ID |
vAmRNe5EDd |
| Name |
Fructalate, cis- |
| Source of Sample |
Standard L'Oreal |
| CAS Registry Number |
116724-15-3 |
| 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 |
228.136159120 u |
| Formula |
C12H20O4 |
| InChI |
InChI=1S/C12H20O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3/t9-,10+ |
| InChIKey |
KRJHRNUTLDTSKY-AOOOYVTPSA-N |
| Molecular Weight |
228.288 g/mol |
| Number of Peaks |
50 |
| RI1 |
1575 |
| RI2 |
1253 |
| RI3 |
1499 |
| RI4 |
1459 |
| SMILES |
[C@]1(CC[C@](CC1)(C(=O)OCC)[H])(C(=O)OCC)[H] |
| SPLASH |
splash10-053r-9500000000-bb0f2ac40efc7d770f3c |
| 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 |
1,4-Cyclohexanedicarboxylic acid, 1,4-diethyl ester, cis- |
| Wiley ID |
LM_FFNSC3_3080 |
