| SpectraBase Spectrum ID |
4q6aT4Cnypx |
| Name |
3.beta.,5-Dimethyl-3-.alpha.-cyano-10-oxo-4,9,12-trioxatetracyclo[5.3.1.1(5,8).0(2,6)]dodecane |
| Alternate Name(s) |
(4S)-4,6-dimethyl-10-oxo-5,7,9-trioxatetracyclo[6.4.0.0(2,6).0(3,11)]dodecane-4-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NO4 |
| InChI |
InChI=1S/C12H13NO4/c1-11(4-13)7-5-3-6-8(7)12(2,17-11)16-10(6)15-9(5)14/h5-8,10H,3H2,1-2H3/t5-,6+,7-,8?,10?,11-,12?/m1/s1 |
| InChIKey |
ZGCVFVPNKNGPTJ-JEUGJGTMSA-N |
| Molecular Weight |
235.239 g/mol |
| SMILES |
C12(C3[C@@]([C@]4(C[C@@]3(C(O1)OC4=O)[H])[H])([C@](O2)(C#N)C)[H])C |
| SPLASH |
splash10-00di-0090000000-315626561599c7eafb0e |
| Source of Spectrum |
QA-44-75-9 |
| Wiley ID |
862406 |
![3.beta.,5-Dimethyl-3-.alpha.-cyano-10-oxo-4,9,12-trioxatetracyclo[5.3.1.1(5,8).0(2,6)]dodecane](/api/spectrum/4q6aT4Cnypx/structure.png?h=300&w=458 "3.beta.,5-Dimethyl-3-.alpha.-cyano-10-oxo-4,9,12-trioxatetracyclo[5.3.1.1(5,8).0(2,6)]dodecane")
