| SpectraBase Spectrum ID |
84HYiF7k1HB |
| Name |
Benzenecarboxylic acid |
| Source of Sample |
SAFC Cat.no. W213101 |
| CAS Registry Number |
65-85-0 |
| Comments |
Generally Recognized as Safe; NTIS Accession Number: PB223837 |
| 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 |
122.036779431 u |
| Formula |
C7H6O2 |
| InChI |
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
| InChIKey |
WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| Molecular Weight |
122.123 g/mol |
| Number of Peaks |
43 |
| RI1 |
1213 |
| RI2 |
891 |
| SMILES |
OC(c1ccccc1)=O |
| SPLASH |
splash10-0pk9-8900000000-7088617992e7207d3d5a |
| 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 |
| Wiley ID |
LM_FFNSC3_126 |
