| SpectraBase Spectrum ID |
B1Sw0EeWGzw |
| Name |
Propanedinitrile, (2,4,5,6,7,7a-hexahydro-3-methyl-2-oxo-7-benzofuranyl)-, trans- |
| Alternate Name(s) |
2-[(7S,7aR)-3-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1-benzofuran-7-yl]malononitrile
trans-2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-benzofuran-7-yl)-1,3-propandinitrile |
| CAS Registry Number |
80755-68-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12N2O2 |
| InChI |
InChI=1S/C12H12N2O2/c1-7-9-3-2-4-10(8(5-13)6-14)11(9)16-12(7)15/h8,10-11H,2-4H2,1H3/t10-,11-/m0/s1 |
| InChIKey |
JIFGIXQQAJUSME-QWRGUYRKSA-N |
| Molecular Weight |
216.240 g/mol |
| SMILES |
[C@]12(OC(=O)C(=C2CCC[C@]1(C(C#N)C#N)[H])C)[H] |
| SPLASH |
splash10-0f6t-6910000000-bb209f9b88601c5dcb76 |
| Source of Spectrum |
H-64-2278-0 |
| Wiley ID |
1215498 |
