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1,3-Benzenediol, o-(3-cyclopentylpropionyl)-o'-propargyloxycarbonyl

View entire compound with spectra: 1 NMR

1,3-Benzenediol, o-(3-cyclopentylpropionyl)-o'-propargyloxycarbonyl
SpectraBase Compound ID IbvF4hiePZ8
InChI InChI=1S/C18H20O5/c1-2-12-21-18(20)23-16-9-5-8-15(13-16)22-17(19)11-10-14-6-3-4-7-14/h1,5,8-9,13-14H,3-4,6-7,10-12H2
InChIKey UHSXFGSGOSBZKS-UHFFFAOYSA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQ4CwMbeLml
Name 1,3-Benzenediol, o-(3-cyclopentylpropionyl)-o'-propargyloxycarbonyl
Comments Computed using HOSE algorithm
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Exact Mass 316.131073739 u
Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-2-12-21-18(20)23-16-9-5-8-15(13-16)22-17(19)11-10-14-6-3-4-7-14/h1,5,8-9,13-14H,3-4,6-7,10-12H2
InChIKey UHSXFGSGOSBZKS-UHFFFAOYSA-N
Molecular Weight 316.353 g/mol
SMILES C1(=CC(=CC=C1)OC(OCC#C)=O)OC(CCC1CCCC1)=O