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N-(Trideuterioacetyl)-S-benzyl-cysteine Methyl Ester
SpectraBase Compound ID CZLerHDFACb
InChI InChI=1S/C13H17NO3S/c1-10(15)14-12(13(16)17-2)9-18-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,15)/t12-/m0/s1/i1D3
InChIKey NELLUUAGFXJBKY-JHFOHIRNSA-N
Mol Weight 270.36 g/mol
Molecular Formula C13H142D3NO3S
Exact Mass 270.111745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUkMniSb0zV
Name N-(Trideuterioacetyl)-S-benzyl-cysteine Methyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14D3NO3S
InChI InChI=1S/C13H17NO3S/c1-10(15)14-12(13(16)17-2)9-18-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,15)/t12-/m0/s1/i1D3
InChIKey NELLUUAGFXJBKY-JHFOHIRNSA-N
Molecular Weight 270.361 g/mol
SMILES N([C@](C(=O)OC)(CSCc1ccccc1)[H])C(=O)C([2D])([2D])[2D]
SPLASH splash10-0006-9110000000-d9b63a486c1d574b03e8
Source of Spectrum CRT-11-113-Me-(2H3)-BEMA
Wiley ID 1709795