| SpectraBase Spectrum ID |
EWWXY0294Bl |
| Name |
Methyl 4-methyl-5-(2-cyanoethyl)-8-ethoxy-9-oxabicyclo[4.3.0.]nonane-4-carboxylate |
| Alternate Name(s) |
(3aS,4S,5S,7aR)-4-(2-Cyano-ethyl)-2-ethoxy-5-methyl-octahydro-benzofuran-5-carboxylic acid methyl ester
Methyl 4-(2-cyanoethyl)-2-ethoxy-5-methyloctahydro-1-benzofuran-5-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H25NO4 |
| InChI |
InChI=1S/C16H25NO4/c1-4-20-14-10-11-12(6-5-9-17)16(2,15(18)19-3)8-7-13(11)21-14/h11-14H,4-8,10H2,1-3H3/t11-,12-,13+,14?,16-/m0/s1 |
| InChIKey |
AGNNKAFHNQCPSC-RBZWTCKCSA-N |
| Molecular Weight |
295.379 g/mol |
| SMILES |
[C@@]1([C@]([C@]2([C@](OC(C2)OCC)(CC1)[H])[H])(CCC#N)[H])(C(=O)OC)C |
| SPLASH |
splash10-03di-0940000000-31b07cc80fb18b370c04 |
| Source of Spectrum |
B-45-275-14 |
| Wiley ID |
1298201 |
![Methyl 4-methyl-5-(2-cyanoethyl)-8-ethoxy-9-oxabicyclo[4.3.0.]nonane-4-carboxylate](/api/spectrum/EWWXY0294Bl/structure.png?h=300&w=458 "Methyl 4-methyl-5-(2-cyanoethyl)-8-ethoxy-9-oxabicyclo[4.3.0.]nonane-4-carboxylate")
