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(S,S)-N,N'-Bis[1-(hydroxymethyl)-2-methylpropyl]anthracene-1,8-dicarboxamide

View entire compound with spectra: 1 MS (GC)

(S,S)-N,N'-Bis[1-(hydroxymethyl)-2-methylpropyl]anthracene-1,8-dicarboxamide
SpectraBase Compound ID E4fzFXYejbQ
InChI InChI=1S/C26H32N2O4/c1-15(2)23(13-29)27-25(31)19-9-5-7-17-11-18-8-6-10-20(22(18)12-21(17)19)26(32)28-24(14-30)16(3)4/h5-12,15-16,23-24,29-30H,13-14H2,1-4H3,(H,27,31)(H,28,32)/t23-,24-/m1/s1
InChIKey AFXPQUCAABZRSU-DNQXCXABSA-N
Mol Weight 436.6 g/mol
Molecular Formula C26H32N2O4
Exact Mass 436.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5r1DDwXYysP
Name (S,S)-N,N'-Bis[1-(hydroxymethyl)-2-methylpropyl]anthracene-1,8-dicarboxamide
Alternate Name(s) N(1),N(8)-bis[(1S)-1-(hydroxymethyl)-2-methylpropyl]-1,8-anthracenedicarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32N2O4
InChI InChI=1S/C26H32N2O4/c1-15(2)23(13-29)27-25(31)19-9-5-7-17-11-18-8-6-10-20(22(18)12-21(17)19)26(32)28-24(14-30)16(3)4/h5-12,15-16,23-24,29-30H,13-14H2,1-4H3,(H,27,31)(H,28,32)/t23-,24-/m1/s1
InChIKey AFXPQUCAABZRSU-DNQXCXABSA-N
Molecular Weight 436.552 g/mol
SMILES N(C(c1c2cc3c(C(N[C@](CO)(C(C)C)[H])=O)cccc3cc2ccc1)=O)[C@](CO)(C(C)C)[H]
SPLASH splash10-0plb-0195300000-7e5fec46d5d31437c907
Source of Spectrum KD-16-3727-3
Wiley ID 1638041