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N(9)-(2,3-Butadien-1-yl)adenine
SpectraBase Compound ID 4QjkdpI7wpf
InChI InChI=1S/C9H9N5/c1-2-3-4-14-6-13-7-8(10)11-5-12-9(7)14/h3,5-6H,1,4H2,(H2,10,11,12)
InChIKey LJNWKGYXJHGOKK-UHFFFAOYSA-N
Mol Weight 187.21 g/mol
Molecular Formula C9H9N5
Exact Mass 187.085795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSxcgCbbb03
Name N(9)-(2,3-Butadien-1-yl)adenine
CAS Registry Number 139347-52-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N5
InChI InChI=1S/C9H9N5/c1-2-3-4-14-6-13-7-8(10)11-5-12-9(7)14/h3,5-6H,1,4H2,(H2,10,11,12)
InChIKey LJNWKGYXJHGOKK-UHFFFAOYSA-N
Molecular Weight 187.206 g/mol
SMILES Nc1c2nc[n](c2ncn1)CC=C=C
SPLASH splash10-000i-1900000000-bfa38334ebbb86ebeaeb
Source of Spectrum J-57-2326-30
Synonyms 9-(2,3-butadienyl)-9H-purin-6-amine 9-(2,3-butadienyl)-9H-purin-6-ylamine
Wiley ID 1183707