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Pentanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
SpectraBase Compound ID H49IdgGuFru
InChI InChI=1S/C27H47NO4S/c1-4-5-16-25(29)32-24-19-21-17-18-27(24,26(21,2)3)20-33(30,31)28(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h21-24H,4-20H2,1-3H3/t21-,24-,27-/m0/s1
InChIKey KOBKECBPYFVXGD-DDZLNHKNSA-N
Mol Weight 481.7 g/mol
Molecular Formula C27H47NO4S
Exact Mass 481.32258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7yca6XxThh
Name Pentanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
CAS Registry Number 106748-94-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H47NO4S
InChI InChI=1S/C27H47NO4S/c1-4-5-16-25(29)32-24-19-21-17-18-27(24,26(21,2)3)20-33(30,31)28(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h21-24H,4-20H2,1-3H3/t21-,24-,27-/m0/s1
InChIKey KOBKECBPYFVXGD-DDZLNHKNSA-N
Molecular Weight 481.736 g/mol
SMILES C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@]12C([C@@](CC2)(C[C@@]1(OC(=O)CCCC)[H])[H])(C)C
SPLASH splash10-000i-9550100000-48e3305737a4e426e86f
Source of Spectrum F-44-5547-7
Synonyms ((1S,2R)-10-(N,N-dicyclohexylaminosulfonyl)born-2-yl)valerate (1S,2R)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl pentanoate
Wiley ID 1395414