| SpectraBase Spectrum ID |
5Xc4Az6G2sa |
| Name |
Naftidrofuryl-M (2COOH) 2ME |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
342.146723803 u |
| Formula |
C20H22O5 |
| InChI |
InChI=1S/C20H22O5/c1-24-19(22)11-10-17(21)13-16(20(23)25-2)12-15-8-5-7-14-6-3-4-9-18(14)15/h3-9,16H,10-13H2,1-2H3 |
| InChIKey |
DBDSPRHDYJOEQF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
342.391 g/mol |
| Nominal Mass |
342 u |
| Quality |
919 |
| Retention Index |
2504 |
| SMILES |
C12=C(CC(C(OC)=O)CC(CCC(OC)=O)=O)C=CC=C2C=CC=C1 |
| SPLASH |
splash10-0w2c-2920000000-f19abd8bf220a5e6d06b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
dimethyl 2-(naphthalen-1-ylmethyl)-4-oxoheptanedioate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003142 |
