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Acetic acid, 3-[6-(benzoylamino)-9H-purin-9-yl]propyl ester
SpectraBase Compound ID 3VPeSPOFis3
InChI InChI=1S/C17H17N5O3/c1-12(23)25-9-5-8-22-11-20-14-15(18-10-19-16(14)22)21-17(24)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,19,21,24)
InChIKey MQPPNSQPUIHIRF-UHFFFAOYSA-N
Mol Weight 339.36 g/mol
Molecular Formula C17H17N5O3
Exact Mass 339.133139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PzSknYRw23
Name Acetic acid, 3-[6-(benzoylamino)-9H-purin-9-yl]propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N5O3
InChI InChI=1S/C17H17N5O3/c1-12(23)25-9-5-8-22-11-20-14-15(18-10-19-16(14)22)21-17(24)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,19,21,24)
InChIKey MQPPNSQPUIHIRF-UHFFFAOYSA-N
Molecular Weight 339.355 g/mol
SMILES N(c1c2nc[n](c2ncn1)CCCOC(=O)C)C(=O)c1ccccc1
SPLASH splash10-08i0-9837000000-56f304a4660b90c83e85
Source of Spectrum IY-1-4593-7
Synonyms Acetic acid 3-(6-benzamido-9-purinyl)propyl ester 3-(6-benzamidopurin-9-yl)propyl acetate 3-(6-benzamidopurin-9-yl)propyl ethanoate
Wiley ID 1653920