| SpectraBase Spectrum ID |
2njILbq6Wmm |
| Name |
1,1,3-Triethoxypropane |
| CAS Registry Number |
7789-92-6 |
| Classification |
Flavor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
176.141244501 u |
| Formula |
C9H20O3 |
| InChI |
InChI=1S/C9H20O3/c1-4-10-8-7-9(11-5-2)12-6-3/h9H,4-8H2,1-3H3 |
| InChIKey |
LGICWIVABSMSDK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
176.256 g/mol |
| Nominal Mass |
176 u |
| Quality |
849 |
| Retention Index |
1211 |
| SMILES |
C(CCOCC)(OCC)OCC |
| SPLASH |
splash10-0a4s-9100000000-2bff36f35e54a5fc23a6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Ethoxypropanal diethyl acetal
3-Ethoxypropionaldehyde diethyl acetal |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009154 |
