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(2-phenoxyethyl)guanidine, hemisulfate, hydrate

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(2-phenoxyethyl)guanidine, hemisulfate, hydrate
SpectraBase Compound ID 25eMLPZnctY
InChI InChI=1S/2C9H13N3O.H2O4S.2H2O/c2*10-9(11)12-6-7-13-8-4-2-1-3-5-8;1-5(2,3)4;;/h2*1-5H,6-7H2,(H4,10,11,12);(H2,1,2,3,4);2*1H2
InChIKey MAGHNWYBHWUBIJ-UHFFFAOYSA-N
Mol Weight 246.274 g/mol
Molecular Formula C9H15N3O2·½H2O4S
Exact Mass 246.100117 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JutT9uSch7E
Name (2-phenoxyethyl)guanidine, hemisulfate, hydrate
Source of Sample F. C. Copp & H. F. Hodson, the Wellcome Research Laboratories, Kent, England
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32N6O8S
InChI InChI=1S/2C9H13N3O.H2O4S.2H2O/c2*10-9(11)12-6-7-13-8-4-2-1-3-5-8;1-5(2,3)4;;/h2*1-5H,6-7H2,(H4,10,11,12);(H2,1,2,3,4);2*1H2
InChIKey MAGHNWYBHWUBIJ-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 1507M
Solvent TFA
Synonyms GUANIDINE, /2-PHENOXYETHYL/-, HEMI- SULFATE, HYDRATE