| SpectraBase Spectrum ID |
7VGMhhDUVZK |
| Name |
Sorbic acid |
| Source of Sample |
SAFC Cat.no. W392103 |
| CAS Registry Number |
110-44-1 |
| Comments |
Generally Recognized as Safe; NTIS Accession Number: PB262663 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. 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 |
| Molecular Weight |
112.128 g/mol |
| Number of Peaks |
45 |
| RI1 |
1109 |
| RI2 |
785 |
| RI3 |
1550 |
| RI4 |
1511 |
| RI5 |
1089 |
| SMILES |
OC(\C=C\C=C\C)=O |
| SPLASH |
splash10-014m-9100000000-442efe136aeb408f1e5d |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
2,4-Hexadienoic acid, (2E,4E)- |
| Wiley ID |
LM_FFNSC3_347 |
