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rac-3-[(Hexadecylamino)(5-nitrofuran-2-yl)methyl]-2-hydroxy-1,4-naphthoquinone
SpectraBase Compound ID 29Im6OuFyYa
InChI InChI=1S/C31H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-32-28(25-20-21-26(39-25)33(37)38)27-29(34)23-18-15-16-19-24(23)30(35)31(27)36/h15-16,18-21,28,32,36H,2-14,17,22H2,1H3
InChIKey CAUOABCYSRYYOE-UHFFFAOYSA-N
Mol Weight 538.7 g/mol
Molecular Formula C31H42N2O6
Exact Mass 538.304287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dqza2400SYM
Name rac-3-[(Hexadecylamino)(5-nitrofuran-2-yl)methyl]-2-hydroxy-1,4-naphthoquinone
Appearance Orange-red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H42N2O6
InChI InChI=1S/C31H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-32-28(25-20-21-26(39-25)33(37)38)27-29(34)23-18-15-16-19-24(23)30(35)31(27)36/h15-16,18-21,28,32,36H,2-14,17,22H2,1H3
InChIKey CAUOABCYSRYYOE-UHFFFAOYSA-N
Instrument Name Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/ardp.201900128
Molecular Weight 538.685 g/mol
SMILES N(C(C1=C(C(c2c(C1=O)cccc2)=O)O)c1ccc([N+]([O-])=O)o1)CCCCCCCCCCCCCCCC
SPLASH splash10-0002-0902000000-99911daf22d8eeb189ca
Source of Spectrum APC-352-6-3d
Wiley ID 1838353