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Octanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
SpectraBase Compound ID 63R51UG5A0e
InChI InChI=1S/C30H53NO4S/c1-4-5-6-7-14-19-28(32)35-27-22-24-20-21-30(27,29(24,2)3)23-36(33,34)31(25-15-10-8-11-16-25)26-17-12-9-13-18-26/h24-27H,4-23H2,1-3H3/t24-,27+,30-/m0/s1
InChIKey QQZMTCAWJBWJHN-IOHOYOPVSA-N
Mol Weight 523.8 g/mol
Molecular Formula C30H53NO4S
Exact Mass 523.36953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8N2YOtYEYSj
Name Octanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
Alternate Name(s) (1S)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl octanoate (2S)-2-Aminooctanoic acid (2S)-2-aminooctanoic acid hydrochloride
CAS Registry Number 106748-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H53NO4S
InChI InChI=1S/C30H53NO4S/c1-4-5-6-7-14-19-28(32)35-27-22-24-20-21-30(27,29(24,2)3)23-36(33,34)31(25-15-10-8-11-16-25)26-17-12-9-13-18-26/h24-27H,4-23H2,1-3H3/t24-,27+,30-/m0/s1
InChIKey QQZMTCAWJBWJHN-IOHOYOPVSA-N
Molecular Weight 523.817 g/mol
SMILES C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@]12C([C@@](CC2)(C[C@]1(OC(=O)CCCCCCC)[H])[H])(C)C
SPLASH splash10-0a4i-9500000000-790056ba37a4ac14e86d
Source of Spectrum F-44-5549-7
Wiley ID 1402411