| SpectraBase Spectrum ID |
5zx0WddQKwP |
| Name |
Benzoate |
| Source of Sample |
SAFC Cat.no. W242209 |
| CAS Registry Number |
93-89-0 |
| 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 |
150.068079560 u |
| Formula |
C9H10O2 |
| InChI |
InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChIKey |
MTZQAGJQAFMTAQ-UHFFFAOYSA-N |
| Molecular Weight |
150.177 g/mol |
| Number of Peaks |
27 |
| RI1 |
1170 |
| RI2 |
848 |
| RI3 |
1052 |
| RI4 |
1008 |
| RI5 |
1150 |
| SMILES |
c1cccc(c1)C(OCC)=O |
| SPLASH |
splash10-0a6r-5900000000-28b77df316cc236c6209 |
| 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, ethyl ester |
| Wiley ID |
LM_FFNSC3_16 |
