| SpectraBase Spectrum ID |
DOzbjNi3HNR |
| Name |
Benzoic acid |
| Source of Sample |
SAFC Cat.no. W353108 |
| CAS Registry Number |
98-89-5 |
| 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 |
128.083729624 u |
| Formula |
C7H12O2 |
| InChI |
InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9) |
| InChIKey |
NZNMSOFKMUBTKW-UHFFFAOYSA-N |
| Molecular Weight |
128.171 g/mol |
| Number of Peaks |
50 |
| RI1 |
1197 |
| RI2 |
875 |
| RI3 |
1471 |
| RI4 |
1430 |
| RI5 |
1141 |
| SMILES |
OC(C1CCCCC1)=O |
| SPLASH |
splash10-0a4i-9100000000-ba52bc0467f08fdd6e1f |
| 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 |
Cyclohexanecarboxylic acid |
| Wiley ID |
LM_FFNSC3_932 |
