| SpectraBase Spectrum ID |
LyTO6q0Rjyc |
| Name |
Hexanoate |
| CAS Registry Number |
104986-28-9 |
| 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 |
202.120509056 u |
| Formula |
C10H18O4 |
| InChI |
InChI=1S/C10H18O4/c1-3-13-10(12)7-5-4-6-8-14-9(2)11/h3-8H2,1-2H3 |
| InChIKey |
ODGMPRNNVXITJQ-UHFFFAOYSA-N |
| Molecular Weight |
202.250 g/mol |
| Number of Peaks |
50 |
| RI1 |
1397 |
| RI2 |
1076 |
| SMILES |
C(OCC)(CCCCCOC(C)=O)=O |
| SPLASH |
splash10-014l-9300000000-445390c9540fa9aec8a7 |
| 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 |
Hexanoic acid, 6-(acetyloxy)-, ethyl ester |
| Wiley ID |
LM_FFNSC3_1172 |
