| SpectraBase Spectrum ID |
GVLvBRKKb73 |
| Name |
Butanoic acid, 2-methyl-4-methylhexyl ester |
| CAS Registry Number |
850309-46-5 |
| 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 |
200.177630011 u |
| Formula |
C12H24O2 |
| InChI |
InChI=1S/C12H24O2/c1-5-10(3)8-7-9-14-12(13)11(4)6-2/h10-11H,5-9H2,1-4H3 |
| InChIKey |
JIRUNGNWQRCSRR-UHFFFAOYSA-N |
| Molecular Weight |
200.322 g/mol |
| Number of Peaks |
42 |
| RI1 |
1307 |
| SMILES |
C(C(CC)C)(OCCCC(CC)C)=O |
| SPLASH |
splash10-0a4l-9100000000-b79ed64d947ae8ea1e4c |
| 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, 4-methylhexenyl ester |
| Wiley ID |
LM_FFNSC3_2532 |
