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Pentanoic acid, 4-methyl-, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
SpectraBase Compound ID 8CyEKFBDwLk
InChI InChI=1S/C28H49NO4S/c1-21(2)15-16-26(30)33-25-19-22-17-18-28(25,27(22,3)4)20-34(31,32)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h21-25H,5-20H2,1-4H3/t22-,25+,28-/m0/s1
InChIKey OSDJAIDHMAIUEG-DLNIMUOOSA-N
Mol Weight 495.8 g/mol
Molecular Formula C28H49NO4S
Exact Mass 495.33823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cfg5fXukjDI
Name Pentanoic acid, 4-methyl-, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
CAS Registry Number 104926-26-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H49NO4S
InChI InChI=1S/C28H49NO4S/c1-21(2)15-16-26(30)33-25-19-22-17-18-28(25,27(22,3)4)20-34(31,32)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h21-25H,5-20H2,1-4H3/t22-,25+,28-/m0/s1
InChIKey OSDJAIDHMAIUEG-DLNIMUOOSA-N
Molecular Weight 495.763 g/mol
SMILES C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@]12C([C@@](CC2)(C[C@]1(OC(=O)CCC(C)C)[H])[H])(C)C
SPLASH splash10-000t-9540100000-fcc0f77647a98cebecf8
Source of Spectrum F-44-5549-7
Synonyms (1S)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl 4-methylpentanoate [(1S,2R)-10-(N,N)-dicyclohexylaminosulfonyl)born-2-yl]4-methylvalerate
Wiley ID 1398097