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rac-3-[(Dodecylamino)(5-nitrofuran-2-yl)methyl]-2-hydroxy-1,4-naphthoquinone
SpectraBase Compound ID 3OkxPfRPdpp
InChI InChI=1S/C27H34N2O6/c1-2-3-4-5-6-7-8-9-10-13-18-28-24(21-16-17-22(35-21)29(33)34)23-25(30)19-14-11-12-15-20(19)26(31)27(23)32/h11-12,14-17,24,28,32H,2-10,13,18H2,1H3
InChIKey FLMALJLZMOYFRI-UHFFFAOYSA-N
Mol Weight 482.6 g/mol
Molecular Formula C27H34N2O6
Exact Mass 482.241687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PG5U71uJ6F
Name rac-3-[(Dodecylamino)(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 C27H34N2O6
InChI InChI=1S/C27H34N2O6/c1-2-3-4-5-6-7-8-9-10-13-18-28-24(21-16-17-22(35-21)29(33)34)23-25(30)19-14-11-12-15-20(19)26(31)27(23)32/h11-12,14-17,24,28,32H,2-10,13,18H2,1H3
InChIKey FLMALJLZMOYFRI-UHFFFAOYSA-N
Instrument Name Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/ardp.201900128
Molecular Weight 482.577 g/mol
SMILES N(C(C1=C(C(c2c(C1=O)cccc2)=O)O)c1ccc([N+]([O-])=O)o1)CCCCCCCCCCCC
SPLASH splash10-0002-6910000000-82a3ddccf80cbf4d0106
Source of Spectrum APC-352-5-2d
Wiley ID 1838350