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2-[3-Hydroxy-4-(3-hydroxypropyl)phenoxy]benzoic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[3-Hydroxy-4-(3-hydroxypropyl)phenoxy]benzoic acid ethyl ester
SpectraBase Compound ID 9uu1S1SAgdq
InChI InChI=1S/C18H20O5/c1-2-22-18(21)15-7-3-4-8-17(15)23-14-10-9-13(6-5-11-19)16(20)12-14/h3-4,7-10,12,19-20H,2,5-6,11H2,1H3
InChIKey MQXLMSWNEKQIPF-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 H0BaPUtfDuF
Name 2-[3-Hydroxy-4-(3-hydroxypropyl)phenoxy]benzoic acid ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 316.131073739 u
Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-2-22-18(21)15-7-3-4-8-17(15)23-14-10-9-13(6-5-11-19)16(20)12-14/h3-4,7-10,12,19-20H,2,5-6,11H2,1H3
InChIKey MQXLMSWNEKQIPF-UHFFFAOYSA-N
Molecular Weight 316.353 g/mol
SMILES C(C=1C(=CC=CC1)OC=1C=C(C(=CC1)CCCO)O)(=O)OCC