| SpectraBase Spectrum ID |
ExY1UXW3kdm |
| Name |
Dihydrocitronellyl tiglate |
| CAS Registry Number |
1231959-12-8 |
| 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 |
240.208930140 u |
| Formula |
C15H28O2 |
| InChI |
InChI=1S/C15H28O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,12-13H,7-11H2,1-5H3/b14-6+ |
| InChIKey |
LMODCYILXCTFHP-MKMNVTDBSA-N |
| Molecular Weight |
240.387 g/mol |
| Number of Peaks |
50 |
| RI1 |
1629 |
| RI2 |
1308 |
| RI3 |
1299 |
| RI4 |
1259 |
| RI5 |
1616 |
| SMILES |
C\C(C(=O)OCCC(CCCC(C)C)C)=C/C |
| SPLASH |
splash10-0ac0-9200000000-c254177dcf64b86085d9 |
| 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-, 3,7-dimethyloctyl ester, (2E)- |
| Wiley ID |
LM_FFNSC3_3416 |
