| SpectraBase Spectrum ID |
9L4XkodMPBc |
| Name |
2-Anthraceneacetic acid, 3-(cyanoacetyl)-9,10-dihydro-4-hydroxy-5-methoxy-10-oxo-, 1,1-dimethylethyl ester |
| CAS Registry Number |
115706-58-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H23NO6 |
| InChI |
InChI=1S/C24H23NO6/c1-24(2,3)31-18(27)12-15-11-14-10-13-6-5-7-17(30-4)20(13)23(29)21(14)22(28)19(15)16(26)8-9-25/h5-7,11,28H,8,10,12H2,1-4H3 |
| InChIKey |
VAIKEZUYMQKEKZ-UHFFFAOYSA-N |
| Molecular Weight |
421.449 g/mol |
| SMILES |
Oc1c2C(c3c(OC)cccc3Cc2cc(CC(OC(C)(C)C)=O)c1C(=O)CC#N)=O |
| SPLASH |
splash10-0006-9000000000-92a56dda273417b734a8 |
| Source of Spectrum |
C-110-6186-32 |
| Synonyms |
3,5-Dioxohexanenitrile
tert-Butyl[3-(cyanoacetyl)-4-hydroxy-5-methoxy-10-oxo-9,10-dihydro-2-anthracenyl]acetate |
| Wiley ID |
1378322 |
