| SpectraBase Spectrum ID |
4dxx7LGRQO |
| Name |
1,3,5-Trimethoxybenzene |
| CAS Registry Number |
621-23-8 |
| Classification |
Pharmaceutical drug, antispasmodic |
| 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 |
168.078644243 u |
| Formula |
C9H12O3 |
| InChI |
InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3 |
| InChIKey |
LKUDPHPHKOZXCD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
168.192 g/mol |
| Nominal Mass |
168 u |
| Quality |
980 |
| Retention Index |
1394 |
| SMILES |
C1(OC)=CC(OC)=CC(OC)=C1 |
| SPLASH |
splash10-014r-6900000000-5be00338c065dbc17d38 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Phloroglucinol trimethyl ether |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007558 |
