| SpectraBase Spectrum ID |
B65dUGxbzGs |
| Name |
Perilla alcohol tiglate |
| CAS Registry Number |
97575-00-3 |
| 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 |
234.161979946 u |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-5-12(4)15(16)17-10-13-6-8-14(9-7-13)11(2)3/h5-6,14H,2,7-10H2,1,3-4H3/b12-5+ |
| InChIKey |
FEZCBWSDUUYJMZ-LFYBBSHMSA-N |
| Molecular Weight |
234.339 g/mol |
| Number of Peaks |
49 |
| RI1 |
1771 |
| RI2 |
1446 |
| RI3 |
1670 |
| RI4 |
1632 |
| RI5 |
1747 |
| SMILES |
C\C(C(=O)OCC1=CCC(CC1)C(=C)C)=C/C |
| SPLASH |
splash10-000x-9200000000-b56865da9489c5904d1c |
| 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-, [4-(1-methylethenyl)-1-cyclohexen-1-yl]methyl ester, (2E)- |
| Wiley ID |
LM_FFNSC3_3431 |
