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4-Heptyn-3-one, 6-methyl-6-[(triphenylmethyl)dioxy]-

View entire compound with spectra: 2 NMR

4-Heptyn-3-one, 6-methyl-6-[(triphenylmethyl)dioxy]-
SpectraBase Compound ID 65Un5IBfM0X
InChI InChI=1S/C27H26O3/c1-4-25(28)20-21-26(2,3)29-30-27(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19H,4H2,1-3H3
InChIKey RWVZCWYCQPVNBL-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C27H26O3
Exact Mass 398.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FvTh6bb3T24
Name 4-Heptyn-3-one, 6-methyl-6-[(triphenylmethyl)dioxy]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.188194694 u
Formula C27H26O3
InChI InChI=1S/C27H26O3/c1-4-25(28)20-21-26(2,3)29-30-27(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19H,4H2,1-3H3
InChIKey RWVZCWYCQPVNBL-UHFFFAOYSA-N
Molecular Weight 398.502 g/mol
SMILES C(OOC(C#CC(=O)CC)(C)C)(C1=CC=CC=C1)(C=1C=CC=CC1)C1=CC=CC=C1