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[(R)-1-((S)-1-Chlorosulfonyl-3-phenyl-propyl)-heptyl]-carbamic acid methyl ester
SpectraBase Compound ID CWsskI1oVxh
InChI InChI=1S/C18H28ClNO4S/c1-3-4-5-9-12-16(20-18(21)24-2)17(25(19,22)23)14-13-15-10-7-6-8-11-15/h6-8,10-11,16-17H,3-5,9,12-14H2,1-2H3,(H,20,21)/t16-,17+/m1/s1
InChIKey PPQIDMVQEYPGBT-SJORKVTESA-N
Mol Weight 389.94 g/mol
Molecular Formula C18H28ClNO4S
Exact Mass 389.142757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILAEgvwhd6G
Name [(R)-1-((S)-1-Chlorosulfonyl-3-phenyl-propyl)-heptyl]-carbamic acid methyl ester
Alternate Name(s) (S,R)-[1-(1-Chlorosulfonyl-3-phenylpropyl)heptyl]carbamic acid methyl ester Methyl (1R)-1-[(1S)-1-(chlorosulfonyl)-3-phenylpropyl]heptylcarbamate
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Formula C18H28ClNO4S
InChI InChI=1S/C18H28ClNO4S/c1-3-4-5-9-12-16(20-18(21)24-2)17(25(19,22)23)14-13-15-10-7-6-8-11-15/h6-8,10-11,16-17H,3-5,9,12-14H2,1-2H3,(H,20,21)/t16-,17+/m1/s1
InChIKey PPQIDMVQEYPGBT-SJORKVTESA-N
Molecular Weight 389.938 g/mol
SMILES N(C(=O)OC)[C@@]([C@@](S(=O)(=O)Cl)(CCc1ccccc1)[H])(CCCCCC)[H]
SPLASH splash10-00di-3900000000-684bff7dc9ac3bc3fdee
Source of Spectrum C5-2002-1813-4
Wiley ID 1617761