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4-(3-Methyl-3-tetrahydropyranyloxy-1-butynyl)benzophenone
SpectraBase Compound ID 4w3vO7s0ADB
InChI InChI=1S/C23H24O3/c1-23(2,26-21-10-6-7-17-25-21)16-15-18-11-13-20(14-12-18)22(24)19-8-4-3-5-9-19/h3-5,8-9,11-14,21H,6-7,10,17H2,1-2H3
InChIKey GAIUCKMAXYMJSJ-UHFFFAOYSA-N
Mol Weight 348.44 g/mol
Molecular Formula C23H24O3
Exact Mass 348.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSp8kkfI6aV
Name 4-(3-Methyl-3-tetrahydropyranyloxy-1-butynyl)benzophenone
Comments Computed using HOSE algorithm
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Exact Mass 348.172544630 u
Formula C23H24O3
InChI InChI=1S/C23H24O3/c1-23(2,26-21-10-6-7-17-25-21)16-15-18-11-13-20(14-12-18)22(24)19-8-4-3-5-9-19/h3-5,8-9,11-14,21H,6-7,10,17H2,1-2H3
InChIKey GAIUCKMAXYMJSJ-UHFFFAOYSA-N
Molecular Weight 348.442 g/mol
SMILES C(C=1C=CC(=CC1)C#CC(C)(OC1CCCCO1)C)(=O)C=1C=CC=CC1