| SpectraBase Spectrum ID |
87qPiWf28qn |
| Name |
3-(Cyanomethylaminomethylene)-3,4-dihydro-2H-1-benzopyran-2,4-dione |
| Alternate Name(s) |
(Z)-(2,4-dioxo-2H-chromen-3(4H)-ylidene)methyl(methyl)cyanamide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H8N2O3 |
| InChI |
InChI=1S/C12H8N2O3/c1-14(7-13)6-9-11(15)8-4-2-3-5-10(8)17-12(9)16/h2-6H,1H3/b9-6- |
| InChIKey |
ZUSWFWDXSMABQR-TWGQIWQCSA-N |
| Molecular Weight |
228.207 g/mol |
| SMILES |
C1(\C(C(c2c(O1)cccc2)=O)=C/N(C#N)C)=O |
| SPLASH |
splash10-00di-0950000000-3066d75910914ee07c5f |
| Source of Spectrum |
SO-0-1946-7 |
| Wiley ID |
878814 |
