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6-Phenyl-3,3-dimethyl-5-thioxomorpholin-2-one
SpectraBase Compound ID HWcbfdxvVNu
InChI InChI=1S/C12H13NO2S/c1-12(2)11(14)15-9(10(16)13-12)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,13,16)
InChIKey DDQHHSXPPCCGKQ-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWMQuPXMDxP
Name 6-Phenyl-3,3-dimethyl-5-thioxomorpholin-2-one
Alternate Name(s) 3,3-Dimethyl-6-phenyl-5-thioxomorpholin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-12(2)11(14)15-9(10(16)13-12)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,13,16)
InChIKey DDQHHSXPPCCGKQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201000318
Molecular Weight 235.301 g/mol
SMILES N1C(C(OC(C1=S)c1ccccc1)=O)(C)C
SPLASH splash10-000i-4980000000-f7e52a512682463c867e
Source of Spectrum H-93-2339-10c
Wiley ID 1783939