| SpectraBase Spectrum ID |
Mln9Jckwau |
| Name |
Benzeneacetic acid <(2E)-hexenyl-> ester |
| CAS Registry Number |
68133-78-8 |
| 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 |
218.130679818 u |
| Formula |
C14H18O2 |
| InChI |
InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h4-10H,2-3,11-12H2,1H3/b8-4+ |
| InChIKey |
BYGAPGDXGHDYGP-XBXARRHUSA-N |
| Molecular Weight |
218.296 g/mol |
| Number of Peaks |
50 |
| RI1 |
1638 |
| RI2 |
1316 |
| SMILES |
C(C(OC\C=C\CCC)=O)c1ccccc1 |
| SPLASH |
splash10-0006-9000000000-81e9bca99acdeb2c63dd |
| 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, (2E)-2-hexenyl ester |
| Wiley ID |
LM_FFNSC3_1373 |
