| SpectraBase Spectrum ID |
1rl5VL3ihhV |
| Name |
Hexanoic acid <3-methyl-, 2-butenyl-> ester |
| CAS Registry Number |
76649-22-4 |
| 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/c1-4-5-6-7-11(12)13-9-8-10(2)3/h8H,4-7,9H2,1-3H3 |
| InChIKey |
MUVXQQVJNUBWPF-UHFFFAOYSA-N |
| Molecular Weight |
184.279 g/mol |
| Number of Peaks |
50 |
| RI1 |
1292 |
| RI2 |
970 |
| SMILES |
CC(=CCOC(CCCCC)=O)C |
| SPLASH |
splash10-014l-9000000000-c7e669580d6d14b2984f |
| 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 |
Hexanoic acid, 3-methyl-2-butenyl ester |
| Wiley ID |
LM_FFNSC3_1377 |
