| SpectraBase Spectrum ID |
2TNSakCRyRY |
| Name |
Benzoate |
| Source of Sample |
SAFC Cat.no. W218502 |
| CAS Registry Number |
120-50-3 |
| 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 |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey |
KYZHGEFMXZOSJN-UHFFFAOYSA-N |
| Molecular Weight |
178.231 g/mol |
| Number of Peaks |
48 |
| RI1 |
1328 |
| RI2 |
1005 |
| RI3 |
1185 |
| RI4 |
1146 |
| SMILES |
c1cccc(c1)C(OCC(C)C)=O |
| SPLASH |
splash10-0a4i-5900000000-761030e094c4ec2a088e |
| 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-methylpropyl ester |
| Wiley ID |
LM_FFNSC3_459 |
