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N-Allylbutylone
SpectraBase Compound ID CiSCS8fUER0
InChI InChI=1S/C15H19NO3/c1-4-8-16(3)12(5-2)15(17)11-6-7-13-14(9-11)19-10-18-13/h4,6-7,9,12H,1,5,8,10H2,2-3H3
InChIKey PZZWBEAWQGCPSC-UHFFFAOYSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgvJq51DmL9
Name N-Allylbutylone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.136493473 u
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-4-8-16(3)12(5-2)15(17)11-6-7-13-14(9-11)19-10-18-13/h4,6-7,9,12H,1,5,8,10H2,2-3H3
InChIKey PZZWBEAWQGCPSC-UHFFFAOYSA-N
Molecular Weight 261.321 g/mol
SMILES C=1(C(C(N(CC=C)C)CC)=O)C=C2C(=CC1)OCO2