SpectraBase Spectrum ID |
9yoDEa00SO1 |
Name |
{1-[Chloro(p-tolylsulfinyl)methyl]-3,3-bis(ethoxymethyl)cyclobutyl}acetonitrile |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C20H28ClNO3S |
InChI |
InChI=1S/C20H28ClNO3S/c1-4-24-14-19(15-25-5-2)12-20(13-19,10-11-22)18(21)26(23)17-8-6-16(3)7-9-17/h6-9,18H,4-5,10,12-15H2,1-3H3 |
InChIKey |
LDIJVIUFZHLDFV-UHFFFAOYSA-N |
Molecular Weight |
397.961 g/mol |
SMILES |
C1(C(S(c2ccc(cc2)C)=O)Cl)(CC(C1)(COCC)COCC)CC#N |
SPLASH |
splash10-05mo-4920000000-1c5d595155694a3c7975 |
Source of Spectrum |
F-67-1112-45 |
Wiley ID |
1685719 |