| SpectraBase Spectrum ID |
ByHPQFApCFg |
| Name |
2-Butenoic acid, 4-(1-cyano-2-oxocyclododecyl)-, methyl ester |
| Alternate Name(s) |
Cyclododecane, 2-butenoic acid deriv.
Methyl (2E)-4-(1-cyano-2-oxocyclododecyl)-2-butenoate
Methyl 4-(1-cyano-2-oxocyclododecyl)-2-butenoate |
| CAS Registry Number |
104891-09-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27NO3 |
| InChI |
InChI=1S/C18H27NO3/c1-22-17(21)12-10-14-18(15-19)13-9-7-5-3-2-4-6-8-11-16(18)20/h10,12H,2-9,11,13-14H2,1H3/b12-10+ |
| InChIKey |
CCTNBOYAAAUDAH-ZRDIBKRKSA-N |
| Molecular Weight |
305.418 g/mol |
| SMILES |
C1(C#N)(C(=O)CCCCCCCCCC1)C\C=C\C(=O)OC |
| SPLASH |
splash10-0597-9210000000-5850d27623110d744f21 |
| Source of Spectrum |
H-68-1995-7 |
| Wiley ID |
1307408 |
