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Ethyl (3R,4S,5R)-4-acetamido-3-(1-ethyl-propoxy)-5-methanesulfonyloxy-cyclohex-1-ene-1-carboxylate
SpectraBase Compound ID ERVkvjKKDje
InChI InChI=1S/C17H29NO7S/c1-6-13(7-2)24-14-9-12(17(20)23-8-3)10-15(25-26(5,21)22)16(14)18-11(4)19/h9,13-16H,6-8,10H2,1-5H3,(H,18,19)/t14-,15-,16+/m1/s1
InChIKey FZMBMBQPSRVBCG-OAGGEKHMSA-N
Mol Weight 391.48 g/mol
Molecular Formula C17H29NO7S
Exact Mass 391.166473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJNdGNXnIuF
Name Ethyl (3R,4S,5R)-4-acetamido-3-(1-ethyl-propoxy)-5-methanesulfonyloxy-cyclohex-1-ene-1-carboxylate
Alternate Name(s) (3R,4S,5R)-4-acetamido-5-methylsulfonyloxy-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester Ethyl (3R,4S,5R)-4-acetamido-5-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylate Ethyl (3R,4S,5R)-4-acetamido-3-(1-ethylpropoxy)-5-methylsulfonyloxy-cyclohexene-1-carboxylate Ethyl (3R,4S,5R)-4-acetamido-5-methylsulfonyloxy-3-pentan-3-yloxy-cyclohexene-1-carboxylate
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Formula C17H29NO7S
InChI InChI=1S/C17H29NO7S/c1-6-13(7-2)24-14-9-12(17(20)23-8-3)10-15(25-26(5,21)22)16(14)18-11(4)19/h9,13-16H,6-8,10H2,1-5H3,(H,18,19)/t14-,15-,16+/m1/s1
InChIKey FZMBMBQPSRVBCG-OAGGEKHMSA-N
Molecular Weight 391.479 g/mol
SMILES N([C@@]1([C@](OS(=O)(=O)C)(CC(=C[C@]1(OC(CC)CC)[H])C(=O)OCC)[H])[H])C(=O)C
SPLASH splash10-0h2f-1961000000-86866109a985837fcb0f
Source of Spectrum QC-20-128-11
Wiley ID 1688019