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 |
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 |
Synonyms |
(2S)-5a,6a-dimethyl-4-oxooctahydro-2H-1,5,6-trioxadicyclopenta[cd,gh]pentalene-2-carbonitrile |
Wiley ID |
862407 |