{[6-(1-adamantyl)-4-amino-2-pyrimidinyl]thio}acetic acid

SpectraBase Compound ID	7mEKbjRy3Td
InChI	InChI=1S/C16H21N3O2S/c17-13-4-12(18-15(19-13)22-8-14(20)21)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,9-11H,1-3,5-8H2,(H,20,21)(H2,17,18,19)/t9-,10+,11-,16-
InChIKey	XRHNCUBWHJLPJR-XMEMTASGSA-N Google Search
Mol Weight	319.42 g/mol
Molecular Formula	C16H21N3O2S
Exact Mass	319.135448 g/mol

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SpectraBase Spectrum ID	FGyzStTTqN8
Name	{[6-(1-ADAMANTYL)-4-AMINO-2-PYRIMIDINYL]THIO}ACETIC ACID
Source of Sample	M. Kuchar, Research Institute of Pharmacy & Biochemistry, Prague, Czechoslovakia
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H21N3O2S
InChI	InChI=1S/C16H21N3O2S/c17-13-4-12(18-15(19-13)22-8-14(20)21)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,9-11H,1-3,5-8H2,(H,20,21)(H2,17,18,19)/t9-,10+,11-,16-
InChIKey	XRHNCUBWHJLPJR-XMEMTASGSA-N
Literature Reference	Abstract-Chemical Abstracts= 71, 91415(1969)
Melting Point	207-208.5C
Molecular Weight	319.423004
Synonyms	ACETIC ACID, //6-/1-ADAMANTYL/- 4-AMINO-2-PYRIMIDINYL/THIO/-,
Technique	KBr WAFER