| SpectraBase Spectrum ID |
G16PSvVTR3K |
| Name |
Phthalate |
| Source of Sample |
SAFC Cat.no. W512206 |
| CAS Registry Number |
84-66-2 |
| 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 |
222.089208927 u |
| Formula |
C12H14O4 |
| InChI |
InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey |
FLKPEMZONWLCSK-UHFFFAOYSA-N |
| Molecular Weight |
222.240 g/mol |
| Number of Peaks |
50 |
| RI1 |
1592 |
| RI2 |
1270 |
| RI3 |
1669 |
| RI4 |
1630 |
| RI5 |
1557 |
| SMILES |
c1ccc(c(c1)C(OCC)=O)C(OCC)=O |
| SPLASH |
splash10-002b-3900000000-be57a58d733d8722e687 |
| 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 |
1,2-Benzenedicarboxylic acid, diethyl ester |
| Wiley ID |
LM_FFNSC3_48 |
