| SpectraBase Spectrum ID |
1k2hLMEyn94 |
| Name |
Methyl 2-hexyl-3-oxocyclopentanecarboxylate |
| CAS Registry Number |
37172-53-5 |
| 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/c1-3-4-5-6-7-10-11(13(15)16-2)8-9-12(10)14/h10-11H,3-9H2,1-2H3 |
| InChIKey |
IPWBXORAIBJDDQ-UHFFFAOYSA-N |
| Molecular Weight |
226.316 g/mol |
| Number of Peaks |
50 |
| RI1 |
1662 |
| RI2 |
1340 |
| RI3 |
2075 |
| RI4 |
2037 |
| RI5 |
1626 |
| SMILES |
C(CCCCC)C1C(CCC1=O)C(=O)OC |
| SPLASH |
splash10-001i-9200000000-65bbb391d314abfc76b1 |
| 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 |
Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, methyl ester |
| Wiley ID |
LM_FFNSC3_3316 |
