| SpectraBase Spectrum ID |
Dfwz82aIU8B |
| Name |
Mersalyl acid-A (-CH3OHgOH) AC |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
277.095022582 u |
| Formula |
C14H15NO5 |
| InChI |
InChI=1S/C14H15NO5/c1-3-8-15(10(2)16)14(19)11-6-4-5-7-12(11)20-9-13(17)18/h3-7H,1,8-9H2,2H3,(H,17,18) |
| InChIKey |
CTTDJVJVYOANBN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
277.276 g/mol |
| Nominal Mass |
277 u |
| Quality |
984 |
| Retention Index |
2067 |
| SMILES |
OC(COC1=C(C(N(C(=O)C)CC=C)=O)C=CC=C1)=O |
| SPLASH |
splash10-0ffx-5920000000-420e9522a7721cd2aade |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2-(acetyl(prop-2-en-1-yl)carbamoyl)phenoxy)acetic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001922 |
