| SpectraBase Spectrum ID |
8DqxzmjgK1W |
| Name |
Pentanoate <2-methyl-, methyl-> |
| Source of Sample |
SAFC Cat.no. W370703 |
| CAS Registry Number |
2177-77-7 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
130.099379689 u |
| Formula |
C7H14O2 |
| InChI |
InChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3 |
| InChIKey |
ZTULNMNIVVMLIU-UHFFFAOYSA-N |
| Molecular Weight |
130.187 g/mol |
| Number of Peaks |
50 |
| RI1 |
865 |
| RI2 |
527 |
| RI3 |
505 |
| RI4 |
459 |
| SMILES |
COC(C(CCC)C)=O |
| SPLASH |
splash10-052u-9000000000-3cee25deca4d69789104 |
| 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-, methyl ester |
| Wiley ID |
LM_FFNSC3_709 |
