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(2E)-2-(adenin-9-ylmethylene)cyclopropanecarboxylic acid ethyl ester
SpectraBase Compound ID 4YtfzJLSK7H
InChI InChI=1S/C12H13N5O2/c1-2-19-12(18)8-3-7(8)4-17-6-16-9-10(13)14-5-15-11(9)17/h4-6,8H,2-3H2,1H3,(H2,13,14,15)/b7-4+
InChIKey KCJYRGXEEWOAFZ-QPJJXVBHSA-N
Mol Weight 259.27 g/mol
Molecular Formula C12H13N5O2
Exact Mass 259.106925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID j7zULuTQYW
Name (2E)-2-(adenin-9-ylmethylene)cyclopropanecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N5O2
InChI InChI=1S/C12H13N5O2/c1-2-19-12(18)8-3-7(8)4-17-6-16-9-10(13)14-5-15-11(9)17/h4-6,8H,2-3H2,1H3,(H2,13,14,15)/b7-4+
InChIKey KCJYRGXEEWOAFZ-QPJJXVBHSA-N
Molecular Weight 259.269 g/mol
SMILES Nc1ncnc2c1nc[n]2\C=C\1C(C1)C(=O)OCC
SPLASH splash10-000i-0980000000-7ded9c70fcd9c9315f5b
Source of Spectrum F2-41-17-27
Synonyms (2E)-2-[(6-aminopurin-9-yl)methylidene]-1-cyclopropanecarboxylic acid ethyl ester Ethyl (2E)-2-[(6-aminopurin-9-yl)methylene]cyclopropanecarboxylate Ethyl (2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropane-1-carboxylate
Wiley ID 1599480