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2-Hexyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SpectraBase Compound ID 96pKuCNIWLl
InChI InChI=1S/C12H23NO2S/c1-4-5-6-7-8-9-13-10(11(14)15)12(2,3)16-9/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKey VIJZAZQAOGXKRB-UHFFFAOYSA-N
Mol Weight 245.38 g/mol
Molecular Formula C12H23NO2S
Exact Mass 245.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J831b0UGqR4
Name 2-Hexyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CAS Registry Number 56595-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H23NO2S
InChI InChI=1S/C12H23NO2S/c1-4-5-6-7-8-9-13-10(11(14)15)12(2,3)16-9/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKey VIJZAZQAOGXKRB-UHFFFAOYSA-N
Molecular Weight 245.381 g/mol
SMILES N1C(SC(C1C(O)=O)(C)C)CCCCCC
SPLASH splash10-03di-2900000000-713494850e153e962907
Source of Spectrum W5-0-0-0
Synonyms 2-Hexyl-5,5-dimethyl-4-thiazolidinecarboxylic acid 2-Hexyl-5,5-dimethyl-thiazolidine-4-carboxylic acid 4-Thiazolidinecarboxylic acid, 2-hexyl-5,5-dimethyl-
Wiley ID 1247887