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Cimetidine

View entire compound with spectra: 4 NMR, 3 FTIR, 1 Raman, and 9 MS (GC)

Cimetidine
SpectraBase Compound ID LZgUo1tlxh1
InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
InChIKey AQIXAKUUQRKLND-UHFFFAOYSA-N
Mol Weight 252.34 g/mol
Molecular Formula C10H16N6S
Exact Mass 252.115716 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2LNYyXfH3I
Name 2-CYANO-1-METHYL-3-{2-{[(5-METHYLIMIDAZOL-4-YL)METHYL]THIO}ETHYL}GUANIDINE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 51481-61-9
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16N6S
InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
InChIKey AQIXAKUUQRKLND-UHFFFAOYSA-N
Melting Point 141C
Molecular Weight 252.34
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms CIMETIDINE GUANIDINE, 2-CYANO-1-METHYL- 3-/2-///5-METHYLIMIDAZOL-4-YL/METHYL/THIO/ETHYL/-,