| SpectraBase Spectrum ID |
HHl4gnGLzTt |
| Name |
Benzoate |
| Source of Sample |
SAFC Cat.no. W205818 |
| CAS Registry Number |
94-46-2 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey |
MLLAPOCBLWUFAP-UHFFFAOYSA-N |
| Molecular Weight |
192.258 g/mol |
| Number of Peaks |
50 |
| RI1 |
1439 |
| RI2 |
1118 |
| SMILES |
c1cccc(c1)C(OCCC(C)C)=O |
| SPLASH |
splash10-05fr-9400000000-47ffaf4d60d0fcd8a5dd |
| 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 |
1-Butanol, 3-methyl-, benzoate |
| Wiley ID |
LM_FFNSC3_353 |
