| SpectraBase Spectrum ID |
JUxwMAL9fT7 |
| Name |
Tetracyclo[7.3.0.0E3,8.0E1,3]dodeca-10-one, 2-alpha-carboethoxy-2-beta-cyano-, (cis-syn-cis) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.183443666 u |
| Formula |
C16H25NO3 |
| InChI |
InChI=1S/C11H16O.C3H6O2.C2H3N/c12-10-6-5-9-7-3-1-2-4-8(7)11(9)10;1-2-5-3-4;1-2-3/h7-9,11H,1-6H2;3H,2H2,1H3;1H3 |
| InChIKey |
HBGUVBTUQVMTKC-UHFFFAOYSA-N |
| Molecular Weight |
279.380 g/mol |
| Nominal Mass |
279 u |
| SMILES |
C(=O)OCC.C1CCCC2C1C1C2C(CC1)=O.CC#N |
![Tetracyclo[7.3.0.0E3,8.0E1,3]dodeca-10-one, 2-alpha-carboethoxy-2-beta-cyano-, (cis-syn-cis)](/api/spectrum/JUxwMAL9fT7/structure.png?h=300&w=458 "Tetracyclo[7.3.0.0E3,8.0E1,3]dodeca-10-one, 2-alpha-carboethoxy-2-beta-cyano-, (cis-syn-cis)")
