| SpectraBase Spectrum ID |
K29Cn5lm61V |
| Name |
(1S,3aS,4S,6aS)-1,4-bis(2-cyanoethyl)-2,5-diketo-3,3a,6,6a-tetrahydropentalene-1,4-dicarboxylic acid dimethyl ester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20N2O6 |
| InChI |
InChI=1S/C18H20N2O6/c1-25-15(23)17(5-3-7-19)11-9-14(22)18(6-4-8-20,16(24)26-2)12(11)10-13(17)21/h11-12H,3-6,9-10H2,1-2H3/t11-,12-,17-,18-/m0/s1 |
| InChIKey |
RKEALCLXLBFSGT-BMEPFDOTSA-N |
| Molecular Weight |
360.366 g/mol |
| SMILES |
[C@]1([C@@]2([C@]([C@@](C(=O)OC)(CCC#N)C(C2)=O)([H])CC1=O)[H])(C(=O)OC)CCC#N |
| SPLASH |
splash10-0f89-4921000000-1220e3fa1ed0f9854ded |
| Source of Spectrum |
K1-2001-1419-16 |
| Synonyms |
(1S,3aS,4S,6aS)-1,4-bis(2-cyanoethyl)-2,5-dioxo-3,3a,6,6a-tetrahydropentalene-1,4-dicarboxylic acid dimethyl ester
Dimethyl (1S,3aS,4S,6aS)-1,4-bis(2-cyanoethyl)-2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydropentalene-1,4-dicarboxylate
Dimethyl (1S,3aS,4S,6aS)-1,4-bis(2-cyanoethyl)-2,5-dioxo-3,3a,6,6a-tetrahydropentalene-1,4-dicarboxylate |
| Wiley ID |
814504 |
