| SpectraBase Spectrum ID |
2VPz6M49RI |
| Name |
Diethyl phthalate (plastizer contaminate!) |
| 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 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| 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 |
| Nominal Mass |
222 u |
| Number of Peaks |
141 |
| SMILES |
c1cccc(c1C(OCC)=O)C(OCC)=O |
| SPLASH |
splash10-0002-2900000000-8e945870db02eeb41b5d |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000474 |
