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(E,4R,5R)-4,6-dimethyl-5-oxidanyl-N-prop-2-ynyl-hept-2-enamide

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(E,4R,5R)-4,6-dimethyl-5-oxidanyl-N-prop-2-ynyl-hept-2-enamide
SpectraBase Compound ID 9enhO19E0TC
InChI InChI=1S/C12H19NO2/c1-5-8-13-11(14)7-6-10(4)12(15)9(2)3/h1,6-7,9-10,12,15H,8H2,2-4H3,(H,13,14)/b7-6+/t10-,12-/m1/s1
InChIKey DPKFHYZZRJUGOB-PWBFPFQSSA-N
Mol Weight 209.29 g/mol
Molecular Formula C12H19NO2
Exact Mass 209.141579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LodJxpvdy0
Name (E,4R,5R)-4,6-Dimethyl-5-oxidanyl-N-prop-2-ynyl-hept-2-enamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.141578854 u
Formula C12H19NO2
InChI InChI=1S/C12H19NO2/c1-5-8-13-11(14)7-6-10(4)12(15)9(2)3/h1,6-7,9-10,12,15H,8H2,2-4H3,(H,13,14)/b7-6+/t10-,12-/m1/s1
InChIKey DPKFHYZZRJUGOB-PWBFPFQSSA-N
Molecular Weight 209.289 g/mol
SMILES C(\C=C\[C@]([C@@](C(C)C)(O)[H])(C)[H])(=O)NCC#C