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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 2rU6uoNPmeX
Name Cimetidine
CAS Registry Number 51481-61-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Literature Reference F.T. Greenaway, L.M. Brown, J.C. Dabrowiak, J. Am. Chem. Soc. 102, 7782 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD