| SpectraBase Spectrum ID |
CPimqFT2qyC |
| Name |
Benzoate |
| Source of Sample |
SAFC Cat.no. W369101 |
| CAS Registry Number |
6789-88-4 |
| 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 |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
| InChIKey |
UUGLJVMIFJNVFH-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| Number of Peaks |
50 |
| RI1 |
1581 |
| RI2 |
1259 |
| RI3 |
1459 |
| RI4 |
1420 |
| SMILES |
c1cccc(c1)C(OCCCCCC)=O |
| SPLASH |
splash10-0adi-7900000000-2ebc3ffa9de1b342655f |
| 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, hexyl ester |
| Wiley ID |
LM_FFNSC3_436 |
