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2-Amino-9-hepta-1,6-dien-4-yl-3H-purin-6-one
SpectraBase Compound ID 6nwjw3pmlKS
InChI InChI=1S/C12H15N5O/c1-3-5-8(6-4-2)17-7-14-9-10(17)15-12(13)16-11(9)18/h3-4,7-8H,1-2,5-6H2,(H3,13,15,16,18)
InChIKey UPWSPCBJNPBEKO-UHFFFAOYSA-N
Mol Weight 245.29 g/mol
Molecular Formula C12H15N5O
Exact Mass 245.12766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxsuEwov6K
Name 2-Amino-9-hepta-1,6-dien-4-yl-3H-purin-6-one
Alternate Name(s) 2-Azanyl-9-hepta-1,6-dien-4-yl-3H-purin-6-one 9-(1-allylbut-3-enyl)-2-amino-3H-purin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N5O
InChI InChI=1S/C12H15N5O/c1-3-5-8(6-4-2)17-7-14-9-10(17)15-12(13)16-11(9)18/h3-4,7-8H,1-2,5-6H2,(H3,13,15,16,18)
InChIKey UPWSPCBJNPBEKO-UHFFFAOYSA-N
Molecular Weight 245.286 g/mol
SMILES NC1=Nc2[n](C(CC=C)CC=C)cnc2C(N1)=O
SPLASH splash10-0udi-3950000000-956da7c1f6c14c8880d9
Source of Spectrum F-68-1240-1
Wiley ID 1571802