| SpectraBase Spectrum ID |
HBBIH2wFlrm |
| Name |
Butanoate <3-methylpenthyl, 3-methyl-> |
| CAS Registry Number |
83783-89-5 |
| 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 |
186.161979946 u |
| Formula |
C11H22O2 |
| InChI |
InChI=1S/C11H22O2/c1-5-9(3)7-8-13-11(12)10(4)6-2/h9-10H,5-8H2,1-4H3 |
| InChIKey |
OGFNJVCHDZQOND-UHFFFAOYSA-N |
| Molecular Weight |
186.295 g/mol |
| Number of Peaks |
40 |
| RI1 |
1207 |
| SMILES |
C(=O)(OCCC(CC)C)C(CC)C |
| SPLASH |
splash10-052f-9100000000-3cb2da1957464fa08c88 |
| 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 |
Butanoic acid, 2-methyl-, 3-methylpentyl ester |
| Wiley ID |
LM_FFNSC3_2523 |
