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1,3-Benzenediol, o-(4-butylbenzoyl)-o'-propargyloxycarbonyl-

View entire compound with spectra: 1 NMR

1,3-Benzenediol, o-(4-butylbenzoyl)-o'-propargyloxycarbonyl-
SpectraBase Compound ID GZhcXfaGri1
InChI InChI=1S/C21H20O5/c1-3-5-7-16-10-12-17(13-11-16)20(22)25-18-8-6-9-19(15-18)26-21(23)24-14-4-2/h2,6,8-13,15H,3,5,7,14H2,1H3
InChIKey DPNWRDNEKFYHHH-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLzM8bq4S24
Name 1,3-Benzenediol, o-(4-butylbenzoyl)-o'-propargyloxycarbonyl-
Comments Computed using HOSE algorithm
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Exact Mass 352.131073739 u
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-3-5-7-16-10-12-17(13-11-16)20(22)25-18-8-6-9-19(15-18)26-21(23)24-14-4-2/h2,6,8-13,15H,3,5,7,14H2,1H3
InChIKey DPNWRDNEKFYHHH-UHFFFAOYSA-N
Molecular Weight 352.386 g/mol
SMILES C1=C(C=C(C=C1)OC(C1=CC=C(C=C1)CCCC)=O)OC(=O)OCC#C