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Benzamide, N-[9-[4-[(benzoyloxy)methyl]-3-hydroxy-2-(phenylmethoxy)cyclopentyl]-9H-purin-6-yl]-, [1R-(1.alpha.,2.beta.,3.beta.,4.alpha.)]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzamide, N-[9-[4-[(benzoyloxy)methyl]-3-hydroxy-2-(phenylmethoxy)cyclopentyl]-9H-purin-6-yl]-, [1R-(1.alpha.,2.beta.,3.beta.,4.alpha.)]-
SpectraBase Compound ID JFCqcVcZim4
InChI InChI=1S/C32H29N5O5/c38-27-24(18-42-32(40)23-14-8-3-9-15-23)16-25(28(27)41-17-21-10-4-1-5-11-21)37-20-35-26-29(33-19-34-30(26)37)36-31(39)22-12-6-2-7-13-22/h1-15,19-20,24-25,27-28,38H,16-18H2,(H,33,34,36,39)/t24-,25-,27-,28+/m0/s1
InChIKey LPXGJWNQXDKNSU-DNZWLJDLSA-N
Mol Weight 563.6 g/mol
Molecular Formula C32H29N5O5
Exact Mass 563.216869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2X4LPn8eskI
Name Benzamide, N-[9-[4-[(benzoyloxy)methyl]-3-hydroxy-2-(phenylmethoxy)cyclopentyl]-9H-purin-6-yl]-, [1R-(1.alpha.,2.beta.,3.beta.,4.alpha.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 563.216869049 u
Formula C32H29N5O5
InChI InChI=1S/C32H29N5O5/c38-27-24(18-42-32(40)23-14-8-3-9-15-23)16-25(28(27)41-17-21-10-4-1-5-11-21)37-20-35-26-29(33-19-34-30(26)37)36-31(39)22-12-6-2-7-13-22/h1-15,19-20,24-25,27-28,38H,16-18H2,(H,33,34,36,39)/t24-,25-,27-,28+/m0/s1
InChIKey LPXGJWNQXDKNSU-DNZWLJDLSA-N
Molecular Weight 563.614 g/mol
SMILES C=12N(C=NC2=C(NC(=O)C2=CC=CC=C2)N=CN1)[C@@]1([C@]([C@@](O)([C@@](C1)(COC(=O)C1=CC=CC=C1)[H])[H])(OCC=1C=CC=CC1)[H])[H]