| SpectraBase Spectrum ID |
8BHbQ7T1qy9 |
| Name |
Clorius |
| Source of Sample |
SAFC Cat.no. W268305 |
| CAS Registry Number |
93-58-3 |
| 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 |
136.052429496 u |
| Formula |
C8H8O2 |
| InChI |
InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey |
QPJVMBTYPHYUOC-UHFFFAOYSA-N |
| Molecular Weight |
136.150 g/mol |
| Number of Peaks |
50 |
| RI1 |
1096 |
| RI2 |
771 |
| RI3 |
1003 |
| RI4 |
959 |
| SMILES |
c1cccc(c1)C(OC)=O |
| SPLASH |
splash10-0a6r-9800000000-d9bae75b875b6e9086aa |
| 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, methyl ester |
| Wiley ID |
LM_FFNSC3_659 |
