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7-[5-O-(2-Acetoxyisobutyryl)-2,3-dideoxy-2-O-acetyl-3-bromo]pyrrolo[2,3-d]pyrimidine
SpectraBase Compound ID DOBaOCSKSQM
InChI InChI=1S/C19H23BrN4O7/c1-9(25)29-14-13(20)12(7-28-18(27)19(3,4)31-10(2)26)30-17(14)24-6-5-11-15(21)22-8-23-16(11)24/h5-6,8,12-14,17H,7H2,1-4H3,(H2,21,22,23)
InChIKey HYEMXPRQEWXTNR-UHFFFAOYSA-N
Mol Weight 499.32 g/mol
Molecular Formula C19H23BrN4O7
Exact Mass 498.075012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Icw1i7a4MSH
Name 7-[5-O-(2-Acetoxyisobutyryl)-2,3-dideoxy-2-O-acetyl-3-bromo]pyrrolo[2,3-d]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23BrN4O7
InChI InChI=1S/C19H23BrN4O7/c1-9(25)29-14-13(20)12(7-28-18(27)19(3,4)31-10(2)26)30-17(14)24-6-5-11-15(21)22-8-23-16(11)24/h5-6,8,12-14,17H,7H2,1-4H3,(H2,21,22,23)
InChIKey HYEMXPRQEWXTNR-UHFFFAOYSA-N
Molecular Weight 499.318 g/mol
SMILES Nc1c2c([n](C3C(C(Br)C(O3)COC(C(OC(=O)C)(C)C)=O)OC(=O)C)cc2)ncn1
SPLASH splash10-03f0-0900010000-7458b6ad225afd965f12
Source of Spectrum SO-0-479-2
Wiley ID 1543141