| SpectraBase Spectrum ID |
G4W79xompi1 |
| Name |
Pentanoate <2-methylpentyl-, 2-methyl-> |
| CAS Registry Number |
90397-38-9 |
| 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 |
200.177630011 u |
| Formula |
C12H24O2 |
| InChI |
InChI=1S/C12H24O2/c1-5-7-10(3)9-14-12(13)11(4)8-6-2/h10-11H,5-9H2,1-4H3 |
| InChIKey |
UMFWRNLJDQMTFR-UHFFFAOYSA-N |
| Molecular Weight |
200.322 g/mol |
| Number of Peaks |
50 |
| RI1 |
1271 |
| RI2 |
949 |
| SMILES |
CCCC(COC(C(CCC)C)=O)C |
| SPLASH |
splash10-007p-9000000000-3884876574173ce4dcf0 |
| 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 |
Pentanoic acid, 2-methyl-, 2-methylpentyl ester |
| Wiley ID |
LM_FFNSC3_1806 |
