| SpectraBase Spectrum ID |
L91HXvAxPwA |
| Name |
Hedione |
| CAS Registry Number |
24851-98-7 |
| 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 |
226.156894565 u |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3 |
| InChIKey |
KVWWIYGFBYDJQC-UHFFFAOYSA-N |
| Molecular Weight |
226.316 g/mol |
| Number of Peaks |
50 |
| RI1 |
1642 |
| RI2 |
1320 |
| SMILES |
C1(CCC(C1CCCCC)=O)CC(OC)=O |
| SPLASH |
splash10-001i-9100000000-433a0d481150c7557424 |
| 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 |
Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester |
| Wiley ID |
LM_FFNSC3_993 |
