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(1R,2S,4S)-10-(N,N-Dicyclohexylaminosulfonyl)born-2-yl (R)-3-phenylbutanoate
SpectraBase Compound ID KqDrNefk5Og
InChI InChI=1S/C32H49NO4S/c1-24(25-13-7-4-8-14-25)21-30(34)37-29-22-26-19-20-32(29,31(26,2)3)23-38(35,36)33(27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4,7-8,13-14,24,26-29H,5-6,9-12,15-23H2,1-3H3/t24-,26+,29+,32+/m1/s1
InChIKey XTOHFEDBTXLSAA-DXICUVPYSA-N
Mol Weight 543.8 g/mol
Molecular Formula C32H49NO4S
Exact Mass 543.33823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbBkUWuf2am
Name (1R,2S,4S)-10-(N,N-Dicyclohexylaminosulfonyl)born-2-yl (R)-3-phenylbutanoate
Alternate Name(s) (1R,2S,4S)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl 3-phenylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H49NO4S
InChI InChI=1S/C32H49NO4S/c1-24(25-13-7-4-8-14-25)21-30(34)37-29-22-26-19-20-32(29,31(26,2)3)23-38(35,36)33(27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4,7-8,13-14,24,26-29H,5-6,9-12,15-23H2,1-3H3/t24-,26+,29+,32+/m1/s1
InChIKey XTOHFEDBTXLSAA-DXICUVPYSA-N
Molecular Weight 543.807 g/mol
SMILES C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@]12C([C@@]([H])(CC2)C[C@@]1(OC(C[C@](c1ccccc1)(C)[H])=O)[H])(C)C
SPLASH splash10-053r-3933000000-03947d8223ba17ccb378
Source of Spectrum QC-5-476-5
Wiley ID 883476