| SpectraBase Spectrum ID |
9aNrPpstRDt |
| Name |
Propanoic acid,2-methyl-,3-hydroxy-2,2,4-trimethylpentyl ester |
| CAS Registry Number |
77-68-9 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
216.172544630 u |
| Formula |
C12H24O3 |
| InChI |
InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3 |
| InChIKey |
DAFHKNAQFPVRKR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
216.321 g/mol |
| Nominal Mass |
216 u |
| Quality |
1000 |
| SMILES |
OC(C(COC(C(C)C)=O)(C)C)C(C)C |
| SPLASH |
splash10-05g3-9000000000-fba6abb07b41c1beeeda |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-hydroxy-2,2,4-trimethylpentyl 2-methyl propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034832 |
