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1-aminotheobromine
SpectraBase Compound ID Ek9sg50W2Zt
InChI InChI=1S/C7H9N5O2/c1-10-3-9-5-4(10)6(13)12(8)7(14)11(5)2/h3H,8H2,1-2H3
InChIKey NAVLIYUAMBPQRQ-UHFFFAOYSA-N
Mol Weight 195.18 g/mol
Molecular Formula C7H9N5O2
Exact Mass 195.075625 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LdgLpVQK0k4
Name 1-AMINOETHEOBROMINE
Source of Sample J. Sakakibara, Nagoya City University, Nagoya, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9N5O2
InChI InChI=1S/C7H9N5O2/c1-10-3-9-5-4(10)6(13)12(8)7(14)11(5)2/h3H,8H2,1-2H3
InChIKey NAVLIYUAMBPQRQ-UHFFFAOYSA-N
Literature Reference J. PHARM. SOC. JAPAN 105, 730(1985)
Melting Point 250-252C
Molecular Weight 195.182007
Synonyms THEOBROMINE, 1-AMINO-, XANTHINE, 1-AMINO-3,7-DIMETHYL-,
Technique KBr WAFER