| SpectraBase Spectrum ID |
7rA1LYxhWiv |
| Name |
Butyrate <3-methyl-, 3-butenyl-3-methyl-> |
| CAS Registry Number |
54410-94-5 |
| 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 |
170.130679818 u |
| Formula |
C10H18O2 |
| InChI |
InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h9H,1,5-7H2,2-4H3 |
| InChIKey |
TYOOXFQTUDXXCL-UHFFFAOYSA-N |
| Molecular Weight |
170.252 g/mol |
| Number of Peaks |
49 |
| RI1 |
1114 |
| RI2 |
790 |
| SMILES |
CC(CCOC(CC(C)C)=O)=C |
| SPLASH |
splash10-014i-9000000000-2d9bf1384e29ef5ebc11 |
| 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, 3-methyl-, 3-methyl-3-butenyl ester |
| Wiley ID |
LM_FFNSC3_1490 |
