| SpectraBase Spectrum ID |
yqwzD3Z4IH |
| Name |
2-(2-cyano-1,4-benzothiazin-4-yl)acetic acid methyl ester |
| Alternate Name(s) |
methyl 2-(2-cyano-1,4-benzothiazin-4-yl)acetate
methyl 2-(2-cyano-1,4-benzothiazin-4-yl)ethanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H10N2O2S |
| InChI |
InChI=1S/C12H10N2O2S/c1-16-12(15)8-14-7-9(6-13)17-11-5-3-2-4-10(11)14/h2-5,7H,8H2,1H3 |
| InChIKey |
LGQNWKCSSGWGOI-UHFFFAOYSA-N |
| Molecular Weight |
246.284 g/mol |
| SMILES |
C=1(Sc2c(N(C1)CC(=O)OC)cccc2)C#N |
| SPLASH |
splash10-000i-0940000000-2cd487fe1649f84cc64f |
| Source of Spectrum |
SO-0-1080-2 |
| Wiley ID |
1611983 |
