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1-(2,3-O-Anhydro-5-O-trityl-.beta.-D-lyxofuranosyl)-2-piperidino-4-pyrimidone
SpectraBase Compound ID HkFqpQeD7Me
InChI InChI=1S/C33H33N3O4/c37-28-19-22-36(32(34-28)35-20-11-4-12-21-35)31-30-29(40-30)27(39-31)23-38-33(24-13-5-1-6-14-24,25-15-7-2-8-16-25)26-17-9-3-10-18-26/h1-3,5-10,13-19,22,27,29-31H,4,11-12,20-21,23H2/t27-,29?,30?,31-/m1/s1
InChIKey RXZBYWQWEMLNJQ-DYOYSORISA-N
Mol Weight 535.6 g/mol
Molecular Formula C33H33N3O4
Exact Mass 535.247107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0EEFiEoN9t
Name 1-(2,3-O-Anhydro-5-O-trityl-.beta.-D-lyxofuranosyl)-2-piperidino-4-pyrimidone
Alternate Name(s) 2-(piperidin-1-yl)-1-[(2R,4R,5R)-4-[(triphenylmethoxy)methyl]-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-1,4-dihydropyrimidin-4-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H33N3O4
InChI InChI=1S/C33H33N3O4/c37-28-19-22-36(32(34-28)35-20-11-4-12-21-35)31-30-29(40-30)27(39-31)23-38-33(24-13-5-1-6-14-24,25-15-7-2-8-16-25)26-17-9-3-10-18-26/h1-3,5-10,13-19,22,27,29-31H,4,11-12,20-21,23H2/t27-,29?,30?,31-/m1/s1
InChIKey RXZBYWQWEMLNJQ-DYOYSORISA-N
Molecular Weight 535.644 g/mol
SMILES C12[C@](N3C(=NC(C=C3)=O)N3CCCCC3)(O[C@@](C2O1)(COC(c1ccccc1)(c1ccccc1)c1ccccc1)[H])[H]
SPLASH splash10-004i-0900000000-db0a26b41e64114c9ab5
Source of Spectrum F-49-10390-10
Wiley ID 788701