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Methyl 4-{(1R,2R)-N-[(2-hydroxycyclohexyl)carbamoyl]}butyrate
SpectraBase Compound ID JNcHS1oRl6V
InChI InChI=1S/C12H21NO4/c1-17-12(16)8-4-7-11(15)13-9-5-2-3-6-10(9)14/h9-10,14H,2-8H2,1H3,(H,13,15)/t9-,10-/m1/s1
InChIKey XSCXRZUSFFUJPB-NXEZZACHSA-N
Mol Weight 243.3 g/mol
Molecular Formula C12H21NO4
Exact Mass 243.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jQzbBZWhmi
Name Methyl 4-{(1R,2R)-N-[(2-hydroxycyclohexyl)carbamoyl]}butyrate
Alternate Name(s) 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoic acid methyl ester methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxo-pentanoate methyl 5-[[(1R,2R)-2-oxidanylcyclohexyl]amino]-5-oxidanylidene-pentanoate
Comments Less than 3 mono-isotopic peaks
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Formula C12H21NO4
InChI InChI=1S/C12H21NO4/c1-17-12(16)8-4-7-11(15)13-9-5-2-3-6-10(9)14/h9-10,14H,2-8H2,1H3,(H,13,15)/t9-,10-/m1/s1
InChIKey XSCXRZUSFFUJPB-NXEZZACHSA-N
Molecular Weight 243.303 g/mol
SMILES N(C(=O)CCCC(=O)OC)[C@]1([C@@](CCCC1)(O)[H])[H]
SPLASH splash10-004i-0900000000-5b64c7e7c334e9d7e090
Source of Spectrum QC-8-3157-6
Wiley ID 870209