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METHYL S-ALPHA-METHYLBENZYL-L-CYSTEINATE, HYDROCHLORIDE
SpectraBase Compound ID 9RSFGxgElFp
InChI InChI=1S/C12H17NO2S.ClH/c1-9(10-6-4-3-5-7-10)16-8-11(13)12(14)15-2;/h3-7,9,11H,8,13H2,1-2H3;1H/t9?,11-;/m0./s1
InChIKey GHWJPHCBZWFMIH-VLTGDTDDSA-N
Mol Weight 275.79 g/mol
Molecular Formula C12H18ClNO2S
Exact Mass 275.074678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCNVhuyNueF
Name METHYL S-ALPHA-METHYLBENZYL-L-CYSTEINATE, HYDROCHLORIDE
Comments 41
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Formula C12H18ClNO2S
InChI InChI=1S/C12H17NO2S.ClH/c1-9(10-6-4-3-5-7-10)16-8-11(13)12(14)15-2;/h3-7,9,11H,8,13H2,1-2H3;1H/t9?,11-;/m0./s1
InChIKey GHWJPHCBZWFMIH-VLTGDTDDSA-N
Instrument Name Varian FT-80
Literature Reference PH.GOERIN, J.P.BATTIONI, M.LECLERQ, PH.DUMAS (1983) Phosphorus and Sulfur: v.15,N3, 351-357.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O deuterium oxide