| SpectraBase Spectrum ID |
8fBqLfqs8mP |
| Name |
Benzoate |
| Source of Sample |
SAFC Cat.no. W286001 |
| CAS Registry Number |
94-47-3 |
| 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 |
226.099379689 u |
| Formula |
C15H14O2 |
| InChI |
InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2 |
| InChIKey |
OSORMYZMWHVFOZ-UHFFFAOYSA-N |
| Molecular Weight |
226.275 g/mol |
| Number of Peaks |
46 |
| RI1 |
1856 |
| RI2 |
1532 |
| RI3 |
2070 |
| RI4 |
2036 |
| SMILES |
C(c1ccccc1)(=O)OCCc1ccccc1 |
| SPLASH |
splash10-0udi-3900000000-b4348171aaaaf76ad2b9 |
| 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-phenylethyl ester |
| Wiley ID |
LM_FFNSC3_503 |
