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O-(Methylthio)methylsenecic acid
SpectraBase Compound ID Kg3pPG8jJTi
InChI InChI=1S/C12H20O5S/c1-5-9(10(13)14)6-8(2)12(3,11(15)16)17-7-18-4/h5,8H,6-7H2,1-4H3,(H,13,14)(H,15,16)/b9-5-/t8-,12-/m1/s1
InChIKey HTGUROJJYLFMGS-PZNOLAKYSA-N
Mol Weight 276.35 g/mol
Molecular Formula C12H20O5S
Exact Mass 276.103145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DqDAtgbWfD
Name O-(Methylthio)methylsenecic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O5S
InChI InChI=1S/C12H20O5S/c1-5-9(10(13)14)6-8(2)12(3,11(15)16)17-7-18-4/h5,8H,6-7H2,1-4H3,(H,13,14)(H,15,16)/b9-5-/t8-,12-/m1/s1
InChIKey HTGUROJJYLFMGS-PZNOLAKYSA-N
Molecular Weight 276.347 g/mol
SMILES OC(\C(C[C@]([C@](C(=O)O)(OCSC)C)(C)[H])=C\C)=O
SPLASH splash10-0ik9-9610000000-61397a2b83ca74bc94a0
Source of Spectrum AJ-67-1991-6
Synonyms (2R,3R,5Z)-5-ethylidene-2,3-dimethyl-2-[(methylsulfanyl)methoxy]hexanedioic acid
Wiley ID 772783