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rac-3-[(Hexadecylamino)(3,5-dibromo-2-hydroxyphenyl)methyl]-2-hydroxy-1,4-naphthoquinone
SpectraBase Compound ID GDimS0sZEEp
InChI InChI=1S/C33H43Br2NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-36-29(26-21-23(34)22-27(35)30(26)37)28-31(38)24-18-15-16-19-25(24)32(39)33(28)40/h15-16,18-19,21-22,29,36-37,40H,2-14,17,20H2,1H3
InChIKey RBVMXYIQTGYZTB-UHFFFAOYSA-N
Mol Weight 677.5 g/mol
Molecular Formula C33H43Br2NO4
Exact Mass 675.155885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vvxVAqbqpH
Name rac-3-[(Hexadecylamino)(3,5-dibromo-2-hydroxyphenyl)methyl]-2-hydroxy-1,4-naphthoquinone
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H43Br2NO4
InChI InChI=1S/C33H43Br2NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-36-29(26-21-23(34)22-27(35)30(26)37)28-31(38)24-18-15-16-19-25(24)32(39)33(28)40/h15-16,18-19,21-22,29,36-37,40H,2-14,17,20H2,1H3
InChIKey RBVMXYIQTGYZTB-UHFFFAOYSA-N
Instrument Name Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/ardp.201900128
Molecular Weight 677.518 g/mol
SMILES N(C(c1cc(cc(c1O)Br)Br)C=1C(c2c(C(=O)C1O)cccc2)=O)CCCCCCCCCCCCCCCC
SPLASH splash10-0a4r-8703921000-9ded65abb170f19426d2
Source of Spectrum APC-352-6-3c
Wiley ID 1838352