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(1S,2R,4R)-1-(N,N-Dicyclohexylaminosulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]hepta-2-yl cinnamate

View entire compound with spectra: 1 MS (GC)

(1S,2R,4R)-1-(N,N-Dicyclohexylaminosulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]hepta-2-yl cinnamate
SpectraBase Compound ID 4nvHyOAj1Uu
InChI InChI=1S/C31H45NO4S/c1-30(2)25-20-21-31(30,28(22-25)36-29(33)19-18-24-12-6-3-7-13-24)23-37(34,35)32(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3,6-7,12-13,18-19,25-28H,4-5,8-11,14-17,20-23H2,1-2H3/b19-18+/t25-,28-,31-/m1/s1
InChIKey IXWPDSZZBMEPAA-XMXUXKOCSA-N
Mol Weight 527.8 g/mol
Molecular Formula C31H45NO4S
Exact Mass 527.30693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSISlD09l1K
Name (1S,2R,4R)-1-(N,N-Dicyclohexylaminosulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]hepta-2-yl cinnamate
Alternate Name(s) (1S,2R,4R)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl (2E)-3-phenyl-2-propenoate (E)-3-phenyl-2-propenoic acid[(1R,3R,4S)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl]ester (E)-3-phenylacrylic 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)-3-phenylprop-2-enoate [(1S,2R,4R)-1-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-norbornan-2-yl](E)-3-phenylprop-2-enoate (E)-3-phenyl-2-propenoic 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)-3-phenylprop-2-enoate [(1R,3R,4S)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] (E)-3-phenylprop-2-enoate
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Formula C31H45NO4S
InChI InChI=1S/C31H45NO4S/c1-30(2)25-20-21-31(30,28(22-25)36-29(33)19-18-24-12-6-3-7-13-24)23-37(34,35)32(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3,6-7,12-13,18-19,25-28H,4-5,8-11,14-17,20-23H2,1-2H3/b19-18+/t25-,28-,31-/m1/s1
InChIKey IXWPDSZZBMEPAA-XMXUXKOCSA-N
Molecular Weight 527.764 g/mol
SMILES C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@@]12C([C@]([H])(CC2)C[C@]1(OC(\C=C\c1ccccc1)=O)[H])(C)C
SPLASH splash10-001i-0910000000-db3cc2c462efc9bbac79
Source of Spectrum KC-0-306-1
Wiley ID 782989