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1,3-Dioxolane-4-carbothioic acid, 2-(1,1-dimethylethyl)-4-(hydroxyphenylmethyl)-, S-(1,1-dimethylethyl) ester
SpectraBase Compound ID GyLkvz9Ehgu
InChI InChI=1S/C19H28O4S/c1-17(2,3)16-22-12-19(23-16,15(21)24-18(4,5)6)14(20)13-10-8-7-9-11-13/h7-11,14,16,20H,12H2,1-6H3
InChIKey NVHJJLNAFIIJKX-UHFFFAOYSA-N
Mol Weight 352.49 g/mol
Molecular Formula C19H28O4S
Exact Mass 352.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkqDGGBs0gA
Name 1,3-Dioxolane-4-carbothioic acid, 2-(1,1-dimethylethyl)-4-(hydroxyphenylmethyl)-, S-(1,1-dimethylethyl) ester
CAS Registry Number 98041-30-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4S
InChI InChI=1S/C19H28O4S/c1-17(2,3)16-22-12-19(23-16,15(21)24-18(4,5)6)14(20)13-10-8-7-9-11-13/h7-11,14,16,20H,12H2,1-6H3
InChIKey NVHJJLNAFIIJKX-UHFFFAOYSA-N
Molecular Weight 352.489 g/mol
SMILES OC(C1(OC(C(C)(C)C)OC1)C(SC(C)(C)C)=O)c1ccccc1
SPLASH splash10-05r0-9500000000-f131f8fba89c1f966fd9
Source of Spectrum H-70-1213-14
Synonyms (2R,4R)-2-(tert-butyl)-4-(1'-hydroxybenzyl)-1,3-dioxolane-4-carbonthiosaure-S-(tert-butyl)ester S-(tert-butyl) 2-tert-butyl-4-[hydroxy(phenyl)methyl]-1,3-dioxolane-4-carbothioate
Wiley ID 1343189