| SpectraBase Spectrum ID |
CLNqINbnZQ8 |
| Name |
Benzoate |
| Source of Sample |
SAFC Cat.no. W515000 |
| CAS Registry Number |
136-60-7 |
| 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 |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChIKey |
XSIFPSYPOVKYCO-UHFFFAOYSA-N |
| Molecular Weight |
178.231 g/mol |
| Number of Peaks |
50 |
| RI1 |
1376 |
| RI2 |
1054 |
| SMILES |
c1cccc(c1)C(OCCCC)=O |
| SPLASH |
splash10-0adi-6900000000-c20edb897949298d3500 |
| 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, butyl ester |
| Wiley ID |
LM_FFNSC3_844 |
