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9-(3',5'-Di-O-benzyl-2'-deoxy-1',2'-seco-D-ribosyl)adenine

View entire compound with spectra: 1 MS (GC)

9-(3',5'-Di-O-benzyl-2'-deoxy-1',2'-seco-D-ribosyl)adenine
SpectraBase Compound ID 1Jq7ThPr1Y3
InChI InChI=1S/C24H27N5O3/c1-18(31-13-20-10-6-3-7-11-20)21(14-30-12-19-8-4-2-5-9-19)32-17-29-16-28-22-23(25)26-15-27-24(22)29/h2-11,15-16,18,21H,12-14,17H2,1H3,(H2,25,26,27)
InChIKey STSZEEKXYWARIE-UHFFFAOYSA-N
Mol Weight 433.51 g/mol
Molecular Formula C24H27N5O3
Exact Mass 433.21139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RJKyHKx2P6
Name 9-(3',5'-Di-O-benzyl-2'-deoxy-1',2'-seco-D-ribosyl)adenine
Alternate Name(s) 9-({2-(benzyloxy)-1-[(benzyloxy)methyl]propoxy}methyl)-9H-purin-6-amine 9-({2-(benzyloxy)-1-[(benzyloxy)methyl]propoxy}methyl)-9H-purin-6-ylamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27N5O3
InChI InChI=1S/C24H27N5O3/c1-18(31-13-20-10-6-3-7-11-20)21(14-30-12-19-8-4-2-5-9-19)32-17-29-16-28-22-23(25)26-15-27-24(22)29/h2-11,15-16,18,21H,12-14,17H2,1H3,(H2,25,26,27)
InChIKey STSZEEKXYWARIE-UHFFFAOYSA-N
Molecular Weight 433.512 g/mol
SMILES Nc1c2nc[n](c2ncn1)COC(C(OCc1ccccc1)C)COCc1ccccc1
SPLASH splash10-0296-5900000000-68a17d9d2de2df7b6e9d
Source of Spectrum H-80-1507-8
Wiley ID 1382676