| SpectraBase Spectrum ID |
5X0Q2Aqhfc0 |
| Name |
1,3,5-Trimethylbenzene |
| CAS Registry Number |
108-67-8 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
120.093900386 u |
| Formula |
C9H12 |
| InChI |
InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 |
| InChIKey |
AUHZEENZYGFFBQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
120.195 g/mol |
| Nominal Mass |
120 u |
| Quality |
954 |
| Retention Index |
885 |
| SMILES |
C1(=CC(=CC(=C1)C)C)C |
| SPLASH |
splash10-0ab9-2900000000-277542e50c591c7cb4de |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3,5-trimethylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032623 |
