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(Z/E)-9-[2-(Benzoyloxymethyl)cyclopropylidenemethyl]adenine
SpectraBase Compound ID GCKrvP3SbE4
InChI InChI=1S/C17H15N5O2/c18-15-14-16(20-9-19-15)22(10-21-14)7-12-6-13(12)8-24-17(23)11-4-2-1-3-5-11/h1-5,7,9-10,13H,6,8H2,(H2,18,19,20)/b12-7+
InChIKey BACBNHKYIYFZHL-KPKJPENVSA-N
Mol Weight 321.34 g/mol
Molecular Formula C17H15N5O2
Exact Mass 321.122575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITKlpfdukN7
Name (Z/E)-9-[2-(Benzoyloxymethyl)cyclopropylidenemethyl]adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15N5O2
InChI InChI=1S/C17H15N5O2/c18-15-14-16(20-9-19-15)22(10-21-14)7-12-6-13(12)8-24-17(23)11-4-2-1-3-5-11/h1-5,7,9-10,13H,6,8H2,(H2,18,19,20)/b12-7+
InChIKey BACBNHKYIYFZHL-KPKJPENVSA-N
Molecular Weight 321.340 g/mol
SMILES Nc1c2c([n](\C=C\3C(COC(=O)c4ccccc4)C3)cn2)ncn1
SPLASH splash10-0pb9-0971000000-d7420caa685cf53b81d7
Source of Spectrum SO-0-1450-14
Synonyms {(2Z)-2-[(6-amino-9H-purin-9-yl)methylene]cyclopropyl}methyl benzoate
Wiley ID 875877