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(1S,2R,4R)-1-(N,N-Dicyclohexylaminosulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]hepta-2-yl crotonate
SpectraBase Compound ID Gbah3soRb9S
InChI InChI=1S/C26H43NO4S/c1-4-11-24(28)31-23-18-20-16-17-26(23,25(20,2)3)19-32(29,30)27(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h4,11,20-23H,5-10,12-19H2,1-3H3/b11-4+/t20-,23-,26-/m1/s1
InChIKey CMRMZYXQWWBRFT-CGXCJJBKSA-N
Mol Weight 465.7 g/mol
Molecular Formula C26H43NO4S
Exact Mass 465.29128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0JStiKXORg
Name (1S,2R,4R)-1-(N,N-Dicyclohexylaminosulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]hepta-2-yl crotonate
Alternate Name(s) (1S,2R,4R)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl (2E)-2-butenoate (E)-2-butenoic acid[(1R,3R,4S)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl]ester (E)-but-2-enoic acid[(1S,2R,4R)-1-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-norbornan-2-yl]ester [(1R,3R,4S)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl](E)-but-2-enoate [(1S,2R,4R)-1-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-norbornan-2-yl](E)-but-2-enoate (E)-2-butenoic acid [(1R,3R,4S)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] ester [(1S,2R,4R)-1-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-norbornan-2-yl] (E)-but-2-enoate [(1R,3R,4S)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] (E)-but-2-enoate
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Formula C26H43NO4S
InChI InChI=1S/C26H43NO4S/c1-4-11-24(28)31-23-18-20-16-17-26(23,25(20,2)3)19-32(29,30)27(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h4,11,20-23H,5-10,12-19H2,1-3H3/b11-4+/t20-,23-,26-/m1/s1
InChIKey CMRMZYXQWWBRFT-CGXCJJBKSA-N
Molecular Weight 465.693 g/mol
SMILES C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@@]12C([C@]([H])(CC2)C[C@]1(OC(\C=C\C)=O)[H])(C)C
SPLASH splash10-001i-0900000000-b9421c47cde6be4571b0
Source of Spectrum KC-0-306-8
Wiley ID 782988