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1-[(1R,2R,3R,4R)-2,3-dibenzoxy-4-methylol-cyclopentyl]pyrimidine-2,4-quinone
SpectraBase Compound ID Lj36dve8csF
InChI InChI=1S/C24H26N2O5/c27-14-19-13-20(26-12-11-21(28)25-24(26)29)23(31-16-18-9-5-2-6-10-18)22(19)30-15-17-7-3-1-4-8-17/h1-12,19-20,22-23,27H,13-16H2,(H,25,28,29)/t19-,20-,22-,23-/m1/s1
InChIKey JPUBSZHDWFBRAH-OHUMZHCVSA-N
Mol Weight 422.48 g/mol
Molecular Formula C24H26N2O5
Exact Mass 422.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UiVLzwx7ss
Name 1-[(1R,2R,3R,4R)-2,3-dibenzoxy-4-methylol-cyclopentyl]pyrimidine-2,4-quinone
Alternate Name(s) 1-[(1R,2R,3R,4R)-2,3-dibenzyloxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione 1-[(1R,2R,3R,4R)-4-(hydroxymethyl)-2,3-bis(phenylmethoxy)cyclopentyl]pyrimidine-2,4-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N2O5
InChI InChI=1S/C24H26N2O5/c27-14-19-13-20(26-12-11-21(28)25-24(26)29)23(31-16-18-9-5-2-6-10-18)22(19)30-15-17-7-3-1-4-8-17/h1-12,19-20,22-23,27H,13-16H2,(H,25,28,29)/t19-,20-,22-,23-/m1/s1
InChIKey JPUBSZHDWFBRAH-OHUMZHCVSA-N
Molecular Weight 422.481 g/mol
SMILES N1C(C=CN([C@@]2(C[C@](CO)([C@]([C@@]2(OCc2ccccc2)[H])(OCc2ccccc2)[H])[H])[H])C1=O)=O
SPLASH splash10-0006-9000000000-a31665186a8faa222dfe
Source of Spectrum F-50-9973-19
Wiley ID 1378643