| SpectraBase Spectrum ID |
2oy2YCCG5ya |
| Name |
2,4,5-Trimethoxybenzaldehyde |
| CAS Registry Number |
4460-86-0 |
| 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 |
196.073558862 u |
| Formula |
C10H12O4 |
| InChI |
InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3 |
| InChIKey |
IAJBQAYHSQIQRE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
196.202 g/mol |
| Nominal Mass |
196 u |
| Quality |
1000 |
| Retention Index |
1718 |
| SMILES |
C1(=C(C=C(C(=C1)OC)OC)OC)C=O |
| SPLASH |
splash10-0002-2900000000-4c2acb6c86cdc67114cc |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzaldehyde,2,4,5-trimethoxy- |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024306 |
