| SpectraBase Spectrum ID |
8HzjSjmf0cq |
| Name |
Sorbic acid |
| CAS Registry Number |
110-44-1 |
| Classification |
Food preservative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
112.052429496 u |
| Formula |
C6H8O2 |
| InChI |
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+ |
| InChIKey |
WSWCOQWTEOXDQX-MQQKCMAXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
112.128 g/mol |
| Nominal Mass |
112 u |
| Quality |
988 |
| Retention Index |
766 |
| SMILES |
OC(\C=C\C=C\C)=O |
| SPLASH |
splash10-014j-9000000000-c005cf01bc360f5ce492 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3-Pentadiene-1-carboxylic acid
2-Propenylacrylic acid
(E,E)-2,4-Hexadienoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003905 |
