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4-[2-Hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethylphenyl heptanoate

View entire compound with spectra: 2 NMR

4-[2-Hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethylphenyl heptanoate
SpectraBase Compound ID 37V86Mwxrd4
InChI InChI=1S/C22H37NO4/c1-7-8-9-10-11-21(25)27-22-16(4)12-20(17(5)18(22)6)26-14-19(24)13-23-15(2)3/h12,15,19,23-24H,7-11,13-14H2,1-6H3
InChIKey ZDQJWEJPIXKCAP-UHFFFAOYSA-N
Mol Weight 379.5 g/mol
Molecular Formula C22H37NO4
Exact Mass 379.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6u539y8aUK
Name 4-[2-Hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethylphenyl heptanoate
Comments Computed using HOSE algorithm
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Exact Mass 379.272258671 u
Formula C22H37NO4
InChI InChI=1S/C22H37NO4/c1-7-8-9-10-11-21(25)27-22-16(4)12-20(17(5)18(22)6)26-14-19(24)13-23-15(2)3/h12,15,19,23-24H,7-11,13-14H2,1-6H3
InChIKey ZDQJWEJPIXKCAP-UHFFFAOYSA-N
Molecular Weight 379.541 g/mol
SMILES N(CC(COC=1C=C(C(=C(C1C)C)OC(=O)CCCCCC)C)O)C(C)C