SpectraBase Spectrum ID |
HsrgdBZNc2L |
Name |
3-Hexenyl 2-methylbutyrate |
CAS Registry Number |
10094-41-4 |
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 |
184.146329882 u |
Formula |
C11H20O2 |
InChI |
InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+ |
InChIKey |
JKKGTSUICJWEKB-VOTSOKGWSA-N |
Molecular Weight |
184.279 g/mol |
Number of Peaks |
50 |
RI1 |
1235 |
RI2 |
913 |
RI3 |
896 |
RI4 |
851 |
RI5 |
1221 |
SMILES |
CC(C(=O)OCC\C=C\CC)CC |
SPLASH |
splash10-0api-9000000000-ea3168e6d272e46144e6 |
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-hexen-1-yl ester |
Wiley ID |
LM_FFNSC3_3128 |