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7-(N-Pentyloxy)coumarin-3-carboxylic acid, N-pentyl ester

View entire compound with spectra: 1 NMR

7-(N-Pentyloxy)coumarin-3-carboxylic acid, N-pentyl ester
SpectraBase Compound ID Ac7Hv3iBNae
InChI InChI=1S/C20H26O5/c1-3-5-7-11-23-16-10-9-15-13-17(20(22)25-18(15)14-16)19(21)24-12-8-6-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKey ZPOINCVOHUQRJJ-UHFFFAOYSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FuN0tVWNIIp
Name 7-(N-Pentyloxy)coumarin-3-carboxylic acid, N-pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.178023932 u
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-3-5-7-11-23-16-10-9-15-13-17(20(22)25-18(15)14-16)19(21)24-12-8-6-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKey ZPOINCVOHUQRJJ-UHFFFAOYSA-N
Molecular Weight 346.423 g/mol
SMILES C1(=CC=2OC(=O)C(=CC2C=C1)C(OCCCCC)=O)OCCCCC