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4-[(1S,2R)-2-(3-ketobutyl)-3,3-dimethyl-cyclobutyl]pent-4-enenitrile

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4-[(1S,2R)-2-(3-ketobutyl)-3,3-dimethyl-cyclobutyl]pent-4-enenitrile
SpectraBase Compound ID L22Zkhq2Hyl
InChI InChI=1S/C15H23NO/c1-11(6-5-9-16)13-10-15(3,4)14(13)8-7-12(2)17/h13-14H,1,5-8,10H2,2-4H3/t13-,14-/m1/s1
InChIKey RVBKTOCMDDHDAM-ZIAGYGMSSA-N
Mol Weight 233.35 g/mol
Molecular Formula C15H23NO
Exact Mass 233.177964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LOSHVD55Bv
Name 4-[(1S,2R)-2-(3-Ketobutyl)-3,3-dimethyl-cyclobutyl]pent-4-enenitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.177964364 u
Formula C15H23NO
InChI InChI=1S/C15H23NO/c1-11(6-5-9-16)13-10-15(3,4)14(13)8-7-12(2)17/h13-14H,1,5-8,10H2,2-4H3/t13-,14-/m1/s1
InChIKey RVBKTOCMDDHDAM-ZIAGYGMSSA-N
Molecular Weight 233.355 g/mol
SMILES [C@@]1([C@](CCC(=O)C)([H])C(C1)(C)C)(C(=C)CCC#N)[H]