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1-(o-tolyl)biguanide, hemihydrate

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1-(o-tolyl)biguanide, hemihydrate
SpectraBase Compound ID Ddja9OUMEkX
InChI InChI=1S/2C9H13N5.H2O/c2*1-6-4-2-3-5-7(6)13-9(12)14-8(10)11;/h2*2-5H,1H3,(H6,10,11,12,13,14);1H2
InChIKey YMMLXVAOWIYEDL-UHFFFAOYSA-N
Mol Weight 200.245 g/mol
Molecular Formula C9H13N5·½H2O
Exact Mass 200.122378 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8XDrd13km0S
Name 1-(o-TOLYL)BIGUANIDE, HEMIHYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments CHCl3-From reaction sample and CDCl3
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18 H28 N10 O
InChI InChI=1S/2C9H13N5.H2O/c2*1-6-4-2-3-5-7(6)13-9(12)14-8(10)11;/h2*2-5H,1H3,(H6,10,11,12,13,14);1H2
InChIKey YMMLXVAOWIYEDL-UHFFFAOYSA-N
Molecular Weight 400.49
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BIGUANIDE, 1-O-TOLYL-, HEMIHYDRATE