| SpectraBase Spectrum ID |
Ik79xxjEjDa |
| Name |
Propanoic acid <2-methyl-, 1,3-dimethyl-, 3-butenyl-> ester |
| CAS Registry Number |
80118-06-5 |
| 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/c1-7(2)6-9(5)12-10(11)8(3)4/h8-9H,1,6H2,2-5H3 |
| InChIKey |
JJWWUTCHOAKZPR-UHFFFAOYSA-N |
| Molecular Weight |
170.252 g/mol |
| Number of Peaks |
50 |
| RI1 |
1036 |
| RI2 |
708 |
| SMILES |
C(C(OC(CC(=C)C)C)=O)(C)C |
| SPLASH |
splash10-007o-9000000000-435dfb13f8743e6193fa |
| 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 |
Propanoic acid, 2-methyl-, 1,3-dimethyl-3-butenyl ester |
| Wiley ID |
LM_FFNSC3_1350 |
