SpectraBase Spectrum ID |
JGInag31mBk |
Name |
Ethyl 2-hydroxy propanoate |
CAS Registry Number |
687-47-8 |
Classification |
Chemical |
Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found) |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
118.062994179 u |
Formula |
C5H10O3 |
InChI |
InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3 |
InChIKey |
LZCLXQDLBQLTDK-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
118.132 g/mol |
Nominal Mass |
118 u |
Quality |
994 |
Retention Index |
798 |
SMILES |
OC(C(OCC)=O)C |
SPLASH |
splash10-0002-9000000000-bd9d7a90a7aa1b0f2250 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
ethyl 2-hydroxy propanoate |
Technique |
GC/MS |
Wiley ID |
DD2024_034289 |