| SpectraBase Spectrum ID |
JI3eUnsGsOO |
| Name |
4-Methylbenzaldehyde |
| CAS Registry Number |
104-87-0 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
120.057514877 u |
| Formula |
C8H8O |
| InChI |
InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3 |
| InChIKey |
FXLOVSHXALFLKQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
120.151 g/mol |
| Nominal Mass |
120 u |
| Quality |
989 |
| Retention Index |
1067 |
| SMILES |
C1(C=O)=CC=C(C=C1)C |
| SPLASH |
splash10-01bc-7900000000-9affdf7f9fba2f59d302 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
p-Tolylmethanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002085 |
