| SpectraBase Spectrum ID |
JF2dBW3pD84 |
| Name |
Toluene |
| CAS Registry Number |
108-88-3 |
| Classification |
Solvent |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
92.062600258 u |
| Formula |
C7H8 |
| InChI |
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey |
YXFVVABEGXRONW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
92.141 g/mol |
| Nominal Mass |
92 u |
| Quality |
978 |
| Retention Index |
780 |
| SMILES |
C1(=CC=CC=C1)C |
| SPLASH |
splash10-0006-9000000000-6b1b25f83d1632afc356 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011580 |
