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Methyl 2-[(2S,5S,6S)-5-benzamido-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]acetate
SpectraBase Compound ID 1t2GtSYIPe9
InChI InChI=1S/C16H21NO5/c1-21-15(19)9-12-7-8-13(14(10-18)22-12)17-16(20)11-5-3-2-4-6-11/h2-6,12-14,18H,7-10H2,1H3,(H,17,20)
InChIKey FMDKDGDDTIJRQT-UHFFFAOYSA-N
Mol Weight 307.35 g/mol
Molecular Formula C16H21NO5
Exact Mass 307.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BkeBEjZJ688
Name Methyl 2-[(2S,5S,6S)-5-benzamido-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]acetate
Comments Computed using HOSE algorithm
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Exact Mass 307.141972775 u
Formula C16H21NO5
InChI InChI=1S/C16H21NO5/c1-21-15(19)9-12-7-8-13(14(10-18)22-12)17-16(20)11-5-3-2-4-6-11/h2-6,12-14,18H,7-10H2,1H3,(H,17,20)
InChIKey FMDKDGDDTIJRQT-UHFFFAOYSA-N
Molecular Weight 307.346 g/mol
SMILES C(CC1CCC(C(O1)CO)NC(C1=CC=CC=C1)=O)(=O)OC