| SpectraBase Spectrum ID |
DCotIuEn95R |
| Name |
4,6-Dimethyl-2.beta.-cyano-8-oxo-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane |
| Alternate Name(s) |
(2S)-5a,6a-dimethyl-4-oxooctahydro-2H-1,5,6-trioxadicyclopenta[cd,gh]pentalene-2-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/c1-11-8-5(7(4-13)15-11)3-6-9(8)12(2,17-11)16-10(6)14/h5-9H,3H2,1-2H3/t5?,6?,7-,8?,9?,11?,12?/m1/s1 |
| InChIKey |
UWPPFVYBGARWMQ-HJQPMQRHSA-N |
| Molecular Weight |
235.239 g/mol |
| SMILES |
C12(C3C4C(CC3C(O1)=O)[C@](OC4(O2)C)(C#N)[H])C |
| SPLASH |
splash10-0006-0930000000-447136a90a70b310db6c |
| Source of Spectrum |
QA-44-74-8 |
| Wiley ID |
862407 |
![4,6-Dimethyl-2.beta.-cyano-8-oxo-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane](/api/spectrum/DCotIuEn95R/structure.png?h=300&w=458 "4,6-Dimethyl-2.beta.-cyano-8-oxo-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane")
