| SpectraBase Spectrum ID |
JLxR3ERebcQ |
| Name |
Tolualdehyde |
| CAS Registry Number |
529-20-4 |
| 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 |
120.057514877 u |
| Formula |
C8H8O |
| InChI |
InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3 |
| InChIKey |
BTFQKIATRPGRBS-UHFFFAOYSA-N |
| Molecular Weight |
120.151 g/mol |
| Number of Peaks |
35 |
| RI1 |
1072 |
| RI2 |
746 |
| RI3 |
1014 |
| RI4 |
971 |
| SMILES |
C(=O)c1c(cccc1)C |
| SPLASH |
splash10-00r6-9400000000-70765f2b488a5f8e2896 |
| 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 |
Benzaldehyde, 2-methyl- |
| Wiley ID |
LM_FFNSC3_2424 |
