| SpectraBase Spectrum ID |
25LeIcLmFp3 |
| Name |
Hepten-2-yl tiglate, 6-methyl-5- |
| CAS Registry Number |
1231959-32-2 |
| 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 |
210.161979946 u |
| Formula |
C13H22O2 |
| InChI |
InChI=1S/C13H22O2/c1-6-11(4)13(14)15-12(5)9-7-8-10(2)3/h6,8,12H,7,9H2,1-5H3/b11-6+ |
| InChIKey |
LHLQYGTVTVNJAP-IZZDOVSWSA-N |
| Molecular Weight |
210.317 g/mol |
| Number of Peaks |
49 |
| RI1 |
1422 |
| RI2 |
1101 |
| RI3 |
1135 |
| RI4 |
1094 |
| RI5 |
1415 |
| SMILES |
C\C(C(=O)OC(CCC=C(C)C)C)=C/C |
| SPLASH |
splash10-0002-9100000000-af12c112210ef36e54da |
| 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 |
2-Butenoic acid, 2-methyl-, 1,5-dimethyl-4-hexen-1-yl ester, (2E)- |
| Wiley ID |
LM_FFNSC3_3420 |
