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(1R,2S)-1-[(4-Acetoxy-3-oxo)butyl]-4,4-dimethyl-2-(4-formylbut-1-en-2-yl)cyclobutane

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(1R,2S)-1-[(4-Acetoxy-3-oxo)butyl]-4,4-dimethyl-2-(4-formylbut-1-en-2-yl)cyclobutane
SpectraBase Compound ID DCrBClsDGit
InChI InChI=1S/C17H26O4/c1-12(6-5-9-18)15-10-17(3,4)16(15)8-7-14(20)11-21-13(2)19/h9,15-16H,1,5-8,10-11H2,2-4H3/t15-,16-/m1/s1
InChIKey ACMYLJHLPCISOB-HZPDHXFCSA-N
Mol Weight 294.39 g/mol
Molecular Formula C17H26O4
Exact Mass 294.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYdvHzDeoIY
Name (1R,2S)-1-[(4-Acetoxy-3-oxo)butyl]-4,4-dimethyl-2-(4-formylbut-1-en-2-yl)cyclobutane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.183109313 u
Formula C17H26O4
InChI InChI=1S/C17H26O4/c1-12(6-5-9-18)15-10-17(3,4)16(15)8-7-14(20)11-21-13(2)19/h9,15-16H,1,5-8,10-11H2,2-4H3/t15-,16-/m1/s1
InChIKey ACMYLJHLPCISOB-HZPDHXFCSA-N
SMILES [C@@]1([C@@](CCC(=O)COC(=O)C)(C(C1)(C)C)[H])(C(=C)CCC=O)[H]