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2-(2-bromanyl-4,5-dimethoxy-phenyl)-N-[2-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)ethyl]-N-[(1S)-1-phenylethyl]ethanamide
SpectraBase Compound ID 5Qwxdt4fku0
InChI InChI=1S/C27H29Br2NO5/c1-17(18-8-6-5-7-9-18)30(11-10-19-12-23(31)24(33-2)15-21(19)28)27(32)14-20-13-25(34-3)26(35-4)16-22(20)29/h5-9,12-13,15-17,31H,10-11,14H2,1-4H3/t17-/m0/s1
InChIKey XOEXIKYLUFYHCF-KRWDZBQOSA-N
Mol Weight 607.34 g/mol
Molecular Formula C27H29Br2NO5
Exact Mass 605.041249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bCf8r7Gv4D
Name 2-(2-bromanyl-4,5-dimethoxy-phenyl)-N-[2-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)ethyl]-N-[(1S)-1-phenylethyl]ethanamide
Alternate Name(s) 2-(2-bromo-4,5-dimethoxy-phenyl)-N-[2-(2-bromo-5-hydroxy-4-methoxy-phenyl)ethyl]-N-[(1S)-1-phenylethyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29Br2NO5
InChI InChI=1S/C27H29Br2NO5/c1-17(18-8-6-5-7-9-18)30(11-10-19-12-23(31)24(33-2)15-21(19)28)27(32)14-20-13-25(34-3)26(35-4)16-22(20)29/h5-9,12-13,15-17,31H,10-11,14H2,1-4H3/t17-/m0/s1
InChIKey XOEXIKYLUFYHCF-KRWDZBQOSA-N
Molecular Weight 607.339 g/mol
SMILES Oc1c(OC)cc(c(CCN(C(Cc2c(cc(c(c2)OC)OC)Br)=O)[C@](c2ccccc2)(C)[H])c1)Br
SPLASH splash10-004i-0000190000-91294376a06b9f17c867
Source of Spectrum O1-55-593-5
Wiley ID 1591172