| SpectraBase Spectrum ID |
JWYuHR6XU4i |
| 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 |
| 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/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 |
| Nominal Mass |
230 u |
| Number of Peaks |
103 |
| SMILES |
CCOC(CCCCCCC(OCC)=O)=O |
| SPLASH |
splash10-052o-9400000000-d3f34197823f108ff302 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001966 |
