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Ethyl 2-bromo-3-[4-[2-[N-(6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl)-N-methylamino]ethoxy]phenyl]propanoate
SpectraBase Compound ID 7NbPHHytudQ
InChI InChI=1S/C35H44BrNO5/c1-7-39-34(38)31(36)21-27-13-15-29(16-14-27)40-20-19-37(6)23-35(5)18-17-30-26(4)32(24(2)25(3)33(30)42-35)41-22-28-11-9-8-10-12-28/h8-16,31H,7,17-23H2,1-6H3
InChIKey YZHHNCNKUFHGQR-UHFFFAOYSA-N
Mol Weight 638.6 g/mol
Molecular Formula C35H44BrNO5
Exact Mass 637.240287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5SLcCMvnEb
Name Ethyl 2-bromo-3-[4-[2-[N-(6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl)-N-methylamino]ethoxy]phenyl]propanoate
Alternate Name(s) ethyl 3-(4-{2-[{[6-(benzyloxy)-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]methyl}(methyl)amino]ethoxy}phenyl)-2-bromopropanoate 2-bromo-3-[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]amino]ethoxy]phenyl]propanoic acid ethyl ester ethyl 2-bromo-3-[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]propanoate ethyl 3-[4-[2-[(6-benzyloxy-2,5,7,8-tetramethyl-chroman-2-yl)methyl-methyl-amino]ethoxy]phenyl]-2-bromo-propanoate ethyl 2-bromanyl-3-[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C35H44BrNO5
InChI InChI=1S/C35H44BrNO5/c1-7-39-34(38)31(36)21-27-13-15-29(16-14-27)40-20-19-37(6)23-35(5)18-17-30-26(4)32(24(2)25(3)33(30)42-35)41-22-28-11-9-8-10-12-28/h8-16,31H,7,17-23H2,1-6H3
InChIKey YZHHNCNKUFHGQR-UHFFFAOYSA-N
Molecular Weight 638.643 g/mol
SMILES C(C(Cc1ccc(cc1)OCCN(C)CC1(CCc2c(c(c(c(c2O1)C)C)OCc1ccccc1)C)C)Br)(=O)OCC
SPLASH splash10-0006-0009000000-a93bb55c10c409a837d6
Source of Spectrum F2-42-3274-0
Wiley ID 1600273