| SpectraBase Spectrum ID |
JHp3giKNPAe |
| Name |
Decanoic acid isopropyl ester |
| CAS Registry Number |
2311-59-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
214.193280075 u |
| Formula |
C13H26O2 |
| InChI |
InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-13(14)15-12(2)3/h12H,4-11H2,1-3H3 |
| InChIKey |
PKPPDYGHKDIKBH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
214.349 g/mol |
| Nominal Mass |
214 u |
| Quality |
987 |
| Retention Index |
1490 |
| SMILES |
C(OC(C)C)(CCCCCCCCC)=O |
| SPLASH |
splash10-0596-9300000000-0702055d0abd5113eb92 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
propan-2-yl decanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022723 |
