| SpectraBase Spectrum ID |
EB7kYrxeJCD |
| Name |
Benzeneacetic acid <3,7-dimethyl-, 2,6-octadienyl-> ester |
| CAS Registry Number |
71648-43-6 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
272.177630011 u |
| Formula |
C18H24O2 |
| InChI |
InChI=1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12+ |
| InChIKey |
UXAIJXIHZDZMSK-FOWTUZBSSA-N |
| Molecular Weight |
272.388 g/mol |
| Number of Peaks |
50 |
| RI1 |
2014 |
| RI2 |
1638 |
| SMILES |
C(=O)(OC\C=C\(CCC=C(C)C)C)Cc1ccccc1 |
| SPLASH |
splash10-00kf-9100000000-3a48db320136f386c485 |
| 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 |
Benzeneacetic acid, 3,7-dimethyl-2,6-octadienyl ester |
| Wiley ID |
LM_FFNSC3_1891 |
