| SpectraBase Spectrum ID |
AIty8ZNCCBK |
| Name |
Tolualdehyde |
| Source of Sample |
SAFC Cat.no. W306802 |
| CAS Registry Number |
620-23-5 |
| 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 |
120.057514877 u |
| Formula |
C8H8O |
| InChI |
InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3 |
| InChIKey |
OVWYEQOVUDKZNU-UHFFFAOYSA-N |
| Molecular Weight |
120.151 g/mol |
| Number of Peaks |
50 |
| RI1 |
1070 |
| RI2 |
743 |
| SMILES |
C(=O)c1cc(ccc1)C |
| SPLASH |
splash10-00r6-9700000000-b7295f55d6273436df94 |
| 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, 3-methyl- |
| Wiley ID |
LM_FFNSC3_1836 |
