| SpectraBase Spectrum ID |
5ZICIWPuS5A |
| Name |
Methyldopa-A (-H2O) 3AC |
| Classification |
Pharmaceutical drug artifact derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
319.105587265 u |
| Formula |
C16H17NO6 |
| InChI |
InChI=1S/C16H17NO6/c1-8(18)17-16(4)7-11-5-13(22-9(2)19)14(23-10(3)20)6-12(11)15(16)21/h5-6H,7H2,1-4H3,(H,17,18) |
| InChIKey |
HWWVWPDKGQTZTD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
319.313 g/mol |
| Nominal Mass |
319 u |
| Quality |
939 |
| Retention Index |
2429 |
| SMILES |
C1(C(C2=C(C1)C=C(C(=C2)OC(=O)C)OC(=O)C)=O)(NC(=O)C)C |
| SPLASH |
splash10-00dl-4920000000-a983a2e3be5245a165f2 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(acetylamino)-6-(acetyloxy)-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002106 |
