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1,3-Dioxolane-4-carbothioic acid, 2-(1,1-dimethylethyl)-, S-(1,1-dimethylethyl) ester, (2S-cis)-
SpectraBase Compound ID 9sTIvfliC3I
InChI InChI=1S/C12H22O3S/c1-11(2,3)10-14-7-8(15-10)9(13)16-12(4,5)6/h8,10H,7H2,1-6H3/t8-,10-/m0/s1
InChIKey WYDZZYXWDKZIAF-WPRPVWTQSA-N
Mol Weight 246.36 g/mol
Molecular Formula C12H22O3S
Exact Mass 246.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPhCVhEb0Ys
Name 1,3-Dioxolane-4-carbothioic acid, 2-(1,1-dimethylethyl)-, S-(1,1-dimethylethyl) ester, (2S-cis)-
CAS Registry Number 98041-23-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3S
InChI InChI=1S/C12H22O3S/c1-11(2,3)10-14-7-8(15-10)9(13)16-12(4,5)6/h8,10H,7H2,1-6H3/t8-,10-/m0/s1
InChIKey WYDZZYXWDKZIAF-WPRPVWTQSA-N
Molecular Weight 246.365 g/mol
SMILES [C@]1(O[C@@](C(C)(C)C)(OC1)[H])(C(SC(C)(C)C)=O)[H]
SPLASH splash10-0ar3-9300000000-55c1a090a455025bd112
Source of Spectrum H-70-1212-13
Synonyms (2S,4S)-2-(tert-butyl)-1,3-dioxolane-4-carbonthiocarboxylic acid S-(tert-butyl)ester S-(tert-butyl) (2S,4S)-2-tert-butyl-1,3-dioxolane-4-carbothioate
Wiley ID 1248680