| SpectraBase Spectrum ID |
7teHnbX87C4 |
| Name |
Hexanoic acid, trimethyl-, 2-propenyl ester |
| CAS Registry Number |
68132-80-9 |
| 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 |
198.161979946 u |
| Formula |
C12H22O2 |
| InChI |
InChI=1S/C12H22O2/c1-5-10-14-11(13)8-7-9-12(3,4)6-2/h5H,1,6-10H2,2-4H3 |
| InChIKey |
DMPNGAXZQQAONL-UHFFFAOYSA-N |
| Molecular Weight |
198.306 g/mol |
| Number of Peaks |
50 |
| RI1 |
1227 |
| RI2 |
905 |
| RI3 |
888 |
| RI4 |
844 |
| SMILES |
C(CC(=O)OCC=C)CC(CC)(C)C |
| SPLASH |
splash10-052f-9100000000-bfcf443bf6dac03a39f1 |
| 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 |
allyl trimethylhexanoate |
| Wiley ID |
LM_FFNSC3_2984 |
