| SpectraBase Spectrum ID |
KGZGRoc6F8M |
| Name |
Hex-(3E)-enoic acid |
| Source of Sample |
SAFC Cat.no. W317004 |
| CAS Registry Number |
1577-18-0 |
| 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 |
114.068079560 u |
| Formula |
C6H10O2 |
| InChI |
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+ |
| InChIKey |
XXHDAWYDNSXJQM-ONEGZZNKSA-N |
| Molecular Weight |
114.144 g/mol |
| Number of Peaks |
41 |
| RI1 |
1071 |
| RI2 |
744 |
| SMILES |
OC(C\C=C\CC)=O |
| SPLASH |
splash10-07bf-9000000000-16086257348465b156c9 |
| 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 |
3-Hexenoic acid, (3E)- |
| Wiley ID |
LM_FFNSC3_555 |
