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12-Chloro-12-(phenylsulfonyl)dodecanoaic acid
SpectraBase Compound ID 9U4T0P0NYal
InChI InChI=1S/C18H27ClO4S/c19-17(24(22,23)16-12-8-7-9-13-16)14-10-5-3-1-2-4-6-11-15-18(20)21/h7-9,12-13,17H,1-6,10-11,14-15H2,(H,20,21)
InChIKey YILXVWBJUMKCCW-UHFFFAOYSA-N
Mol Weight 374.92 g/mol
Molecular Formula C18H27ClO4S
Exact Mass 374.131858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GD58bAFrt2d
Name 12-Chloro-12-(phenylsulfonyl)dodecanoaic acid
Alternate Name(s) 12-chloro-12-(phenylsulfonyl)dodecanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27ClO4S
InChI InChI=1S/C18H27ClO4S/c19-17(24(22,23)16-12-8-7-9-13-16)14-10-5-3-1-2-4-6-11-15-18(20)21/h7-9,12-13,17H,1-6,10-11,14-15H2,(H,20,21)
InChIKey YILXVWBJUMKCCW-UHFFFAOYSA-N
Molecular Weight 374.923 g/mol
SMILES OC(CCCCCCCCCCC(S(=O)(=O)c1ccccc1)Cl)=O
SPLASH splash10-0002-0900000000-5403af208d2fc0c24b06
Source of Spectrum AJ-66-2347-6
Wiley ID 772138