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Hexanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
SpectraBase Compound ID J7WzrUgQdhX
InChI InChI=1S/C28H49NO4S/c1-4-5-8-17-26(30)33-25-20-22-18-19-28(25,27(22,2)3)21-34(31,32)29(23-13-9-6-10-14-23)24-15-11-7-12-16-24/h22-25H,4-21H2,1-3H3/t22-,25+,28-/m0/s1
InChIKey BUPVLLMZJYTYSV-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 Lg8Nt6iSb4I
Name Hexanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
CAS Registry Number 96864-08-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H49NO4S
InChI InChI=1S/C28H49NO4S/c1-4-5-8-17-26(30)33-25-20-22-18-19-28(25,27(22,2)3)21-34(31,32)29(23-13-9-6-10-14-23)24-15-11-7-12-16-24/h22-25H,4-21H2,1-3H3/t22-,25+,28-/m0/s1
InChIKey BUPVLLMZJYTYSV-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)CCCCC)[H])[H])(C)C
SPLASH splash10-0aca-9410000000-8e2b0066177b799f78d9
Source of Spectrum F-44-5548-13
Synonyms (1S)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl hexanoate [(1S,2R)-1-(N,N-dicyclohexylaminosulfonyl)born-2-yl]hexanoate
Wiley ID 1398096