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

View entire compound with spectra: 1 MS (GC)

(S,S)-N,N'-Bis[1-(hydroxymethyl)-2-methylbutyl]anthracene-1,8-dicarboxamide
SpectraBase Compound ID IcOjYOm16BO
InChI InChI=1S/C28H36N2O4/c1-5-17(3)25(15-31)29-27(33)21-11-7-9-19-13-20-10-8-12-22(24(20)14-23(19)21)28(34)30-26(16-32)18(4)6-2/h7-14,17-18,25-26,31-32H,5-6,15-16H2,1-4H3,(H,29,33)(H,30,34)/t17?,18?,25-,26-/m1/s1
InChIKey GBBCBZKJRZQCSU-LVBCCTRVSA-N
Mol Weight 464.6 g/mol
Molecular Formula C28H36N2O4
Exact Mass 464.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6LXrmT2kqi
Name (S,S)-N,N'-Bis[1-(hydroxymethyl)-2-methylbutyl]anthracene-1,8-dicarboxamide
Alternate Name(s) N(1),N(8)-bis[(1S,2R)-1-(hydroxymethyl)-2-methylbutyl]-1,8-anthracenedicarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N2O4
InChI InChI=1S/C28H36N2O4/c1-5-17(3)25(15-31)29-27(33)21-11-7-9-19-13-20-10-8-12-22(24(20)14-23(19)21)28(34)30-26(16-32)18(4)6-2/h7-14,17-18,25-26,31-32H,5-6,15-16H2,1-4H3,(H,29,33)(H,30,34)/t17?,18?,25-,26-/m1/s1
InChIKey GBBCBZKJRZQCSU-LVBCCTRVSA-N
Molecular Weight 464.606 g/mol
SMILES N(C(c1c2cc3c(C(N[C@](CO)(C(CC)C)[H])=O)cccc3cc2ccc1)=O)[C@](CO)(C(CC)C)[H]
SPLASH splash10-006x-0189200000-dbc0b47e7f0e051438b9
Source of Spectrum KD-16-3727-3
Wiley ID 1638040