| SpectraBase Spectrum ID |
3mWV2qNpL6c |
| Name |
Benzoic acid <2-hydroxy-, (2E)-hexenyl-> ester |
| CAS Registry Number |
68133-77-7 |
| 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 |
220.109944372 u |
| Formula |
C13H16O3 |
| InChI |
InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h4-9,14H,2-3,10H2,1H3/b7-4+ |
| InChIKey |
DLWPCXLFHSLSMZ-QPJJXVBHSA-N |
| Molecular Weight |
220.268 g/mol |
| Number of Peaks |
50 |
| RI1 |
1686 |
| RI2 |
1363 |
| SMILES |
Oc1ccccc1C(OC\C=C\CCC)=O |
| SPLASH |
splash10-00e9-9500000000-5ad5028555058e7820f8 |
| 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 |
Benzoic acid, 2-hydroxy-, (2E)-2-hexenyl ester |
| Wiley ID |
LM_FFNSC3_1379 |
