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S-Methyl 2-{4-[2-(N-heptyl-N-(benzoxazol-2-yl)amino-ethyl)]phenoxy}-3-phenylpropanoate
SpectraBase Compound ID Ho2D5Sw4stE
InChI InChI=1S/C32H38N2O4/c1-3-4-5-6-12-22-34(32-33-28-15-10-11-16-29(28)38-32)23-21-25-17-19-27(20-18-25)37-30(31(35)36-2)24-26-13-8-7-9-14-26/h7-11,13-20,30H,3-6,12,21-24H2,1-2H3/t30-/m0/s1
InChIKey DALIVBCETFLCJM-PMERELPUSA-N
Mol Weight 514.7 g/mol
Molecular Formula C32H38N2O4
Exact Mass 514.283158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID crYCzcAxwZ
Name S-Methyl 2-{4-[2-(N-heptyl-N-(benzoxazol-2-yl)amino-ethyl)]phenoxy}-3-phenylpropanoate
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H38N2O4
InChI InChI=1S/C32H38N2O4/c1-3-4-5-6-12-22-34(32-33-28-15-10-11-16-29(28)38-32)23-21-25-17-19-27(20-18-25)37-30(31(35)36-2)24-26-13-8-7-9-14-26/h7-11,13-20,30H,3-6,12,21-24H2,1-2H3/t30-/m0/s1
InChIKey DALIVBCETFLCJM-PMERELPUSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/jm201306q
Molecular Weight 514.666 g/mol
SMILES c1ccc2nc(N(CCc3ccc(O[C@@](Cc4ccccc4)(C(=O)OC)[H])cc3)CCCCCCC)oc2c1
SPLASH splash10-03dl-0920000000-fbcb9b657bfe04f8cfd8
Source of Spectrum AF-55-SM3-S-5c
Wiley ID 1852004