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10-Dicyclohexylsulfamoyl-D-isobornyl (R)-(+)-(4-Chlorophenyl)sufinylacetate
SpectraBase Compound ID LbetG6nAj2D
InChI InChI=1S/C30H44ClNO5S2/c1-29(2)22-17-18-30(29,27(19-22)37-28(33)20-38(34)26-15-13-23(31)14-16-26)21-39(35,36)32(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h13-16,22,24-25,27H,3-12,17-21H2,1-2H3/t22-,27+,30-,38?/m0/s1
InChIKey PUFABXNSWGJXMJ-MMVRDLLMSA-N
Mol Weight 598.3 g/mol
Molecular Formula C30H44ClNO5S2
Exact Mass 597.234944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BRUeqdQteL
Name 10-Dicyclohexylsulfamoyl-D-isobornyl (R)-(+)-(4-Chlorophenyl)sufinylacetate
Alternate Name(s) (2R)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl[(4-chlorophenyl)sulfinyl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H44ClNO5S2
InChI InChI=1S/C30H44ClNO5S2/c1-29(2)22-17-18-30(29,27(19-22)37-28(33)20-38(34)26-15-13-23(31)14-16-26)21-39(35,36)32(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h13-16,22,24-25,27H,3-12,17-21H2,1-2H3/t22-,27+,30-,38?/m0/s1
InChIKey PUFABXNSWGJXMJ-MMVRDLLMSA-N
Molecular Weight 598.257 g/mol
SMILES C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@]12C([C@@](CC2)(C[C@]1(OC(CS(c1ccc(cc1)Cl)=O)=O)[H])[H])(C)C
SPLASH splash10-001i-0900000000-bc54806aa46e3938be72
Source of Spectrum F-47-6609-9
Wiley ID 1409891