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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 NMR, and 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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2uhiYemXpw
Name (1S,2R,4R)-1-(N,N-Dicyclohexylaminosulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]hepta-2-yl cinnamate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 527.306930103 u
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\C=1C=CC=CC1)=O)[H])(C)C