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1-Adenine-5-ribofuranosyl 2-Butenoate
SpectraBase Compound ID 2xYZ0Ytjimo
InChI InChI=1S/C14H17N5O5/c1-2-3-8(20)23-4-7-10(21)11(22)14(24-7)19-6-18-13-9(19)12(15)16-5-17-13/h2-3,5-7,10-11,14,21-22H,4H2,1H3,(H2,15,16,17)/b3-2+/t7-,10-,11-,14?/m1/s1
InChIKey BNVPJHCDTIKOQU-RUWRMQQYSA-N
Mol Weight 335.32 g/mol
Molecular Formula C14H17N5O5
Exact Mass 335.122969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZft7RJBBLv
Name 1-Adenine-5-ribofuranosyl 2-Butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17N5O5
InChI InChI=1S/C14H17N5O5/c1-2-3-8(20)23-4-7-10(21)11(22)14(24-7)19-6-18-13-9(19)12(15)16-5-17-13/h2-3,5-7,10-11,14,21-22H,4H2,1H3,(H2,15,16,17)/b3-2+/t7-,10-,11-,14?/m1/s1
InChIKey BNVPJHCDTIKOQU-RUWRMQQYSA-N
Molecular Weight 335.320 g/mol
SMILES O[C@@]1([C@](OC([C@@]1(O)[H])[n]1c2c(ncnc2N)nc1)(COC(\C=C\C)=O)[H])[H]
SPLASH splash10-014i-9600000000-297ab90ff35133fefdef
Source of Spectrum J-58-660-7
Synonyms (E)-But-2-enoic acid (2R,3S,4R)-5-(6-amino-purin-7-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester [(2R,3S,4R)-5-(6-amino-7H-purin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2E)-but-2-enoate
Wiley ID 1331537