| SpectraBase Spectrum ID |
8J1NaPwgZaC |
| Name |
Ferulic acid glycineconjugate 2ME |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
279.110672646 u |
| Formula |
C14H17NO5 |
| InChI |
InChI=1S/C14H17NO5/c1-18-11-6-4-10(8-12(11)19-2)5-7-13(16)15-9-14(17)20-3/h4-8H,9H2,1-3H3,(H,15,16)/b7-5- |
| InChIKey |
OOMSGMDOPUBRIF-ALCCZGGFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
279.292 g/mol |
| Nominal Mass |
279 u |
| Quality |
898 |
| Retention Index |
2103 |
| SMILES |
C=1(C(=CC=C(C1)\C=C/C(NCC(OC)=O)=O)OC)OC |
| SPLASH |
splash10-0006-3920000000-99b5e360714eafed47f8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (((2Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl)amino)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001421 |
