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Benzoic acid, 4-[[[(6,7,8,9-tetrahydrodibenzo[B,D]furan-2-yl)oxy]acetyl]amino]-, methyl ester
SpectraBase Compound ID 5dPZcOmOf7O
InChI InChI=1S/C22H21NO5/c1-26-22(25)14-6-8-15(9-7-14)23-21(24)13-27-16-10-11-20-18(12-16)17-4-2-3-5-19(17)28-20/h6-12H,2-5,13H2,1H3,(H,23,24)
InChIKey NZFCNPQWKRWEQJ-UHFFFAOYSA-N
Mol Weight 379.41 g/mol
Molecular Formula C22H21NO5
Exact Mass 379.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ISTrWU4d881
Name Benzoic acid, 4-[[[(6,7,8,9-tetrahydrodibenzo[B,D]furan-2-yl)oxy]acetyl]amino]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.141972775 u
Formula C22H21NO5
InChI InChI=1S/C22H21NO5/c1-26-22(25)14-6-8-15(9-7-14)23-21(24)13-27-16-10-11-20-18(12-16)17-4-2-3-5-19(17)28-20/h6-12H,2-5,13H2,1H3,(H,23,24)
InChIKey NZFCNPQWKRWEQJ-UHFFFAOYSA-N
Molecular Weight 379.412 g/mol
SMILES N(C(COC1=CC=2C3=C(OC2C=C1)CCCC3)=O)C=1C=CC(C(=O)OC)=CC1