| SpectraBase Spectrum ID |
9om99t96MX8 |
| Name |
Hex-(2E)-enyl benzoate |
| CAS Registry Number |
76841-70-8 |
| 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 |
204.115029753 u |
| Formula |
C13H16O2 |
| InChI |
InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h4-10H,2-3,11H2,1H3/b8-4+ |
| InChIKey |
IRWNFSMZBFIURE-XBXARRHUSA-N |
| Molecular Weight |
204.269 g/mol |
| Number of Peaks |
50 |
| RI1 |
1588 |
| RI2 |
1266 |
| SMILES |
c1cccc(c1)C(OC\C=C\CCC)=O |
| SPLASH |
splash10-0a4i-6900000000-857dd3418d01fa3b6dbe |
| 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-Hexen-1-ol, benzoate, (2E)- |
| Wiley ID |
LM_FFNSC3_1605 |
