| SpectraBase Spectrum ID |
3qbRArd6A1 |
| Name |
DL-Valine, N-[(2-hydroxyphenyl)methylene]-3-(methylthio)-, methyl ester |
| Alternate Name(s) |
Methyl 2-{[(E)-(2-hydroxyphenyl)methylidene]amino}-3-methyl-3-(methylsulfanyl)butanoate
Methyl ester of S-methyl-N-salicyliden-DL-penicilamine |
| CAS Registry Number |
66877-33-6 |
| Comments |
Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1284760 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H19NO3S |
| InChI |
InChI=1S/C14H19NO3S/c1-14(2,19-4)12(13(17)18-3)15-9-10-7-5-6-8-11(10)16/h5-9,12,16H,1-4H3/b15-9+ |
| InChIKey |
OSGMWSUSNYKARE-OQLLNIDSSA-N |
| Molecular Weight |
281.370 g/mol |
| SMILES |
Oc1c(\C=N\C(C(=O)OC)C(SC)(C)C)cccc1 |
| SPLASH |
splash10-000i-9000000000-8cf1174194b2f1b4991b |
| Source of Spectrum |
K-111-1075-0 |
| Wiley ID |
1821139 |
![DL-Valine, N-[(2-hydroxyphenyl)methylene]-3-(methylthio)-, methyl ester](/api/spectrum/3qbRArd6A1/structure.png?h=300&w=458 "DL-Valine, N-[(2-hydroxyphenyl)methylene]-3-(methylthio)-, methyl ester")
