| SpectraBase Spectrum ID |
Dl9LUekUHuy |
| Name |
Mebeverine-M/A ME |
| CAS Registry Number |
2150-38-1 |
| Classification |
Drug metabolite, artifact |
| 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 |
196.073558862 u |
| Formula |
C10H12O4 |
| InChI |
InChI=1S/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H3 |
| InChIKey |
BIGQPYZPEWAPBG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
196.202 g/mol |
| Nominal Mass |
196 u |
| Quality |
986 |
| Retention Index |
1408 |
| SMILES |
C1(=CC(=C(C=C1)OC)OC)C(OC)=O |
| SPLASH |
splash10-00kb-3900000000-08dd578cbbd2ceabef8b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 3,4-dimethoxybenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001890 |
