| SpectraBase Spectrum ID |
GNYqNtNQfhG |
| Name |
Sorbate |
| Source of Sample |
SAFC Cat.no. W371424 |
| CAS Registry Number |
689-89-4 |
| 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 |
126.068079560 u |
| Formula |
C7H10O2 |
| InChI |
InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+ |
| InChIKey |
KWKVAGQCDSHWFK-VNKDHWASSA-N |
| Molecular Weight |
126.155 g/mol |
| Number of Peaks |
50 |
| RI1 |
1019 |
| RI2 |
690 |
| RI3 |
860 |
| RI4 |
814 |
| SMILES |
C\C=C\C=C\C(OC)=O |
| SPLASH |
splash10-02t9-9300000000-24d24a63cb74a96f3f47 |
| 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, methyl ester, (2E,4E)- |
| Wiley ID |
LM_FFNSC3_649 |
