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6-N-Benzoyl-9-(5-bromo-5,6-dideoxy-2,3-O-isopropylidene-.beta.,D-ribo-hex-5-enfuranosyl)adenine
SpectraBase Compound ID EQK2S48oUGw
InChI InChI=1S/C21H20BrN5O4/c1-11(22)14-15-16(31-21(2,3)30-15)20(29-14)27-10-25-13-17(23-9-24-18(13)27)26-19(28)12-7-5-4-6-8-12/h4-10,14-16,20H,1H2,2-3H3,(H,23,24,26,28)/t14-,15?,16+,20-/m1/s1
InChIKey ICUXUFFPHSEKMU-SKDDPIEPSA-N
Mol Weight 486.33 g/mol
Molecular Formula C21H20BrN5O4
Exact Mass 485.069867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfeS6a8RNb3
Name 6-N-Benzoyl-9-(5-bromo-5,6-dideoxy-2,3-O-isopropylidene-.beta.,D-ribo-hex-5-enfuranosyl)adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20BrN5O4
InChI InChI=1S/C21H20BrN5O4/c1-11(22)14-15-16(31-21(2,3)30-15)20(29-14)27-10-25-13-17(23-9-24-18(13)27)26-19(28)12-7-5-4-6-8-12/h4-10,14-16,20H,1H2,2-3H3,(H,23,24,26,28)/t14-,15?,16+,20-/m1/s1
InChIKey ICUXUFFPHSEKMU-SKDDPIEPSA-N
Molecular Weight 486.326 g/mol
SMILES N(c1c2c([n]([C@]3([C@@]4(C(OC(O4)(C)C)[C@](O3)(C(=C)Br)[H])[H])[H])cn2)ncn1)C(=O)c1ccccc1
SPLASH splash10-0a4i-0000900000-e22ec8c92d3571a64743
Source of Spectrum E1-37-3585-10
Wiley ID 1575310