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{1-[Chloro(p-tolylsulfinyl)methyl]-3,3-bis(ethoxymethyl)cyclobutyl}acetonitrile
SpectraBase Compound ID 6w3Dv0V356k
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
Mol Weight 397.96 g/mol
Molecular Formula C20H28ClNO3S
Exact Mass 397.147843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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