| SpectraBase Spectrum ID |
I72VrsNTWO |
| Name |
3-[1-Cyano-3,3-bis(methoxycarbonyl)butyl]benzoic acid 2,2,4,4-tetramethyl-3-oxopentyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H33NO7 |
| InChI |
InChI=1S/C25H33NO7/c1-23(2,3)20(28)24(4,5)15-33-19(27)17-11-9-10-16(12-17)18(14-26)13-25(6,21(29)31-7)22(30)32-8/h9-12,18H,13,15H2,1-8H3 |
| InChIKey |
DMZPGWKLNNYFCB-UHFFFAOYSA-N |
| Molecular Weight |
459.539 g/mol |
| SMILES |
C(c1cc(ccc1)C(CC(C)(C(=O)OC)C(=O)OC)C#N)(=O)OCC(C(C(C)(C)C)=O)(C)C |
| SPLASH |
splash10-0udi-0009000000-fca7f78e98ca09ff3c70 |
| Source of Spectrum |
KC-61-9583-19 |
| Synonyms |
Dimethyl 4-cyano-4-(3-{[(2,2,4,4-tetramethyl-3-oxopentyl)oxy]carbonyl}phenyl)-2,2-butanedicarboxylate |
| Wiley ID |
1630753 |
![3-[1-Cyano-3,3-bis(methoxycarbonyl)butyl]benzoic acid 2,2,4,4-tetramethyl-3-oxopentyl ester](/api/spectrum/I72VrsNTWO/structure.png?h=300&w=458 "3-[1-Cyano-3,3-bis(methoxycarbonyl)butyl]benzoic acid 2,2,4,4-tetramethyl-3-oxopentyl ester")
