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N6-(chloroacetyl)adenine
SpectraBase Compound ID I5DEuNltZYZ
InChI InChI=1S/C7H6ClN5O/c8-1-4(14)13-7-5-6(10-2-9-5)11-3-12-7/h2-3H,1H2,(H2,9,10,11,12,13,14)
InChIKey KLZFMCBADSEGSF-UHFFFAOYSA-N
Mol Weight 211.61 g/mol
Molecular Formula C7H6ClN5O
Exact Mass 211.026088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3WnqAAssPW
Name Acetamide, 2-chloro-N-1H-purin-6-yl-
CAS Registry Number 10082-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6ClN5O
InChI InChI=1S/C7H6ClN5O/c8-1-4(14)13-7-5-6(10-2-9-5)11-3-12-7/h2-3H,1H2,(H2,9,10,11,12,13,14)
InChIKey KLZFMCBADSEGSF-UHFFFAOYSA-N
Molecular Weight 211.612 g/mol
SMILES N(C(=O)CCl)c1c2nc[nH]c2ncn1
SPLASH splash10-01p9-9320000000-5f1d6b84f384d37fd66c
Source of Spectrum AV-47-167-16
Synonyms 2-Chloro-N-(9H-purin-6-yl)acetamide 2-Chloranyl-N-(7H-purin-6-yl)ethanamide 2-Chloro-N-(7H-purin-6-yl)acetamide 6-(2-Chloroacetamido)purine N6-Chloroacetyladenine
Wiley ID 1210116