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Ethyl (3R,4R,5R)-4-acetamido-3-(1-ethylpropoxy)-5-hydroxy-cyclohex-1-ene-1-carboxylate
SpectraBase Compound ID 8pmgh4xjOuV
InChI InChI=1S/C16H27NO5/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(19)15(14)17-10(4)18/h9,12-15,19H,5-8H2,1-4H3,(H,17,18)/t13-,14-,15-/m1/s1
InChIKey URDHDCSUAOWYKB-RBSFLKMASA-N
Mol Weight 313.39 g/mol
Molecular Formula C16H27NO5
Exact Mass 313.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HL7XXB2h6gt
Name Ethyl (3R,4R,5R)-4-acetamido-3-(1-ethylpropoxy)-5-hydroxy-cyclohex-1-ene-1-carboxylate
Alternate Name(s) (3R,4R,5R)-4-acetamido-5-hydroxy-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester Ethyl (3R,4R,5R)-4-acetamido-5-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate Ethyl (3R,4R,5R)-4-acetamido-3-(1-ethylpropoxy)-5-hydroxy-cyclohexene-1-carboxylate Ethyl (3R,4R,5R)-4-acetamido-5-oxidanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate
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Formula C16H27NO5
InChI InChI=1S/C16H27NO5/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(19)15(14)17-10(4)18/h9,12-15,19H,5-8H2,1-4H3,(H,17,18)/t13-,14-,15-/m1/s1
InChIKey URDHDCSUAOWYKB-RBSFLKMASA-N
Molecular Weight 313.394 g/mol
SMILES O[C@]1([C@]([C@@](C=C(C1)C(=O)OCC)(OC(CC)CC)[H])(NC(=O)C)[H])[H]
SPLASH splash10-052g-3950000000-ac26cf1ab75b91cbd034
Source of Spectrum QC-20-127-10
Wiley ID 1688020