| SpectraBase Spectrum ID |
8af31lx4k6u |
| Name |
DL-Valine, N-(2-benzothiazolylmethylene)-, methyl ester |
| Alternate Name(s) |
methyl 2-{[(E)-1,3-benzothiazol-2-ylmethylidene]amino}-3-methylbutanoate
Methyl N-benzothiazol-2-ylmethylvalinate |
| CAS Registry Number |
113370-64-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16N2O2S |
| InChI |
InChI=1S/C14H16N2O2S/c1-9(2)13(14(17)18-3)15-8-12-16-10-6-4-5-7-11(10)19-12/h4-9,13H,1-3H3/b15-8+ |
| InChIKey |
STBDJPKKEBHIBQ-OVCLIPMQSA-N |
| Molecular Weight |
276.354 g/mol |
| SMILES |
c1(nc2c(s1)cccc2)\C=N\C(C(=O)OC)C(C)C |
| SPLASH |
splash10-0006-9000000000-2d8f5d22b01a40f99f31 |
| Source of Spectrum |
KC-1987-2291-6 |
| Wiley ID |
1279883 |
