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(Z)-3-(6-Amino-9H-purin-9-yl)-4-hydroxy-4-methyl-2-hexenenitrile

View entire compound with spectra: 1 MS (GC)

(Z)-3-(6-Amino-9H-purin-9-yl)-4-hydroxy-4-methyl-2-hexenenitrile
SpectraBase Compound ID 5Gq64YTQueE
InChI InChI=1S/C12H14N6O/c1-3-12(2,19)8(4-5-13)18-7-17-9-10(14)15-6-16-11(9)18/h4,6-7,19H,3H2,1-2H3,(H2,14,15,16)/b8-4-
InChIKey IPWJNQHXSRNMBU-YWEYNIOJSA-N
Mol Weight 258.28 g/mol
Molecular Formula C12H14N6O
Exact Mass 258.122909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYpgfPUxh4e
Name (Z)-3-(6-Amino-9H-purin-9-yl)-4-hydroxy-4-methyl-2-hexenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N6O
InChI InChI=1S/C12H14N6O/c1-3-12(2,19)8(4-5-13)18-7-17-9-10(14)15-6-16-11(9)18/h4,6-7,19H,3H2,1-2H3,(H2,14,15,16)/b8-4-
InChIKey IPWJNQHXSRNMBU-YWEYNIOJSA-N
Molecular Weight 258.285 g/mol
SMILES Nc1c2c([n](\C(C(O)(CC)C)=C\C#N)cn2)ncn1
SPLASH splash10-0006-9100000000-5f7c65dc21da43ed053c
Source of Spectrum F-66-1703-3b
Wiley ID 1682633