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(S,S)-1,8-Bis[(4-phenylmethyl)oxazolin-2-yl]anthraquinone

View entire compound with spectra: 1 MS (GC)

(S,S)-1,8-Bis[(4-phenylmethyl)oxazolin-2-yl]anthraquinone
SpectraBase Compound ID DKDYCaZAjt2
InChI InChI=1S/C34H26N2O4/c37-31-25-13-7-15-27(33-35-23(19-39-33)17-21-9-3-1-4-10-21)29(25)32(38)30-26(31)14-8-16-28(30)34-36-24(20-40-34)18-22-11-5-2-6-12-22/h1-16,23-24H,17-20H2/t23-,24-/m0/s1
InChIKey QQMJVHOBTNUJHZ-ZEQRLZLVSA-N
Mol Weight 526.6 g/mol
Molecular Formula C34H26N2O4
Exact Mass 526.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1n0qV6u6k4
Name (S,S)-1,8-Bis[(4-phenylmethyl)oxazolin-2-yl]anthraquinone
Alternate Name(s) 1,8-bis[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]anthra-9,10-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H26N2O4
InChI InChI=1S/C34H26N2O4/c37-31-25-13-7-15-27(33-35-23(19-39-33)17-21-9-3-1-4-10-21)29(25)32(38)30-26(31)14-8-16-28(30)34-36-24(20-40-34)18-22-11-5-2-6-12-22/h1-16,23-24H,17-20H2/t23-,24-/m0/s1
InChIKey QQMJVHOBTNUJHZ-ZEQRLZLVSA-N
Molecular Weight 526.592 g/mol
SMILES C1(c2c(cccc2C2=N[C@@](Cc3ccccc3)(CO2)[H])C(c2c1c(C1=N[C@@](Cc3ccccc3)(CO1)[H])ccc2)=O)=O
SPLASH splash10-0udr-0139720000-46cf2f0527bb7c2e0113
Source of Spectrum KD-16-3729-4
Wiley ID 1638032