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{1-[Chloro(p-tolylsulfinyl)methyl]cyclododecyl}acetonitrile
SpectraBase Compound ID 6Hl4otFjnmz
InChI InChI=1S/C22H32ClNOS/c1-19-11-13-20(14-12-19)26(25)21(23)22(17-18-24)15-9-7-5-3-2-4-6-8-10-16-22/h11-14,21H,2-10,15-17H2,1H3
InChIKey HPSZBKMQDNZRFD-UHFFFAOYSA-N
Mol Weight 394.0 g/mol
Molecular Formula C22H32ClNOS
Exact Mass 393.189314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JOWXjK5aYl
Name {1-[Chloro(p-tolylsulfinyl)methyl]cyclododecyl}acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32ClNOS
InChI InChI=1S/C22H32ClNOS/c1-19-11-13-20(14-12-19)26(25)21(23)22(17-18-24)15-9-7-5-3-2-4-6-8-10-16-22/h11-14,21H,2-10,15-17H2,1H3
InChIKey HPSZBKMQDNZRFD-UHFFFAOYSA-N
Molecular Weight 394.017 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C1(CC#N)CCCCCCCCCCC1)Cl
SPLASH splash10-0006-1900000000-aa92862f3d17c9e2e84d
Source of Spectrum F-68-2488-17b
Wiley ID 1708653