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2-tert-Butyl-4-(1-hydroxy-2-cyclohexen-1-yl)-4-methyl-1,3-oxathiolan-5-one
SpectraBase Compound ID 2xWuQw1niG6
InChI InChI=1S/C14H22O3S/c1-12(2,3)11-17-10(15)13(4,18-11)14(16)8-6-5-7-9-14/h6,8,11,16H,5,7,9H2,1-4H3
InChIKey FAPYMPZUJRNJQB-UHFFFAOYSA-N
Mol Weight 270.39 g/mol
Molecular Formula C14H22O3S
Exact Mass 270.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeATmrQ8NYv
Name 2-tert-Butyl-4-(1-hydroxy-2-cyclohexen-1-yl)-4-methyl-1,3-oxathiolan-5-one
CAS Registry Number 92572-66-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3S
InChI InChI=1S/C14H22O3S/c1-12(2,3)11-17-10(15)13(4,18-11)14(16)8-6-5-7-9-14/h6,8,11,16H,5,7,9H2,1-4H3
InChIKey FAPYMPZUJRNJQB-UHFFFAOYSA-N
Molecular Weight 270.387 g/mol
SMILES OC1(C2(C(OC(S2)C(C)(C)C)=O)C)C=CCCC1
SPLASH splash10-0670-9100000000-6fefb836435f5b7fcfd8
Synonyms 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-(1-hydroxy-2-cyclohexen-1-yl)-4-methyl-, [2.alpha.,4.beta.(S*)]-(.+-.)- 2-tert-Butyl-4-(1-hydroxy-1-cyclohex-2-enyl)-4-methyl-1,3-oxathiolan-5-one 2-tert-Butyl-4-(1-hydroxycyclohex-2-en-1-yl)-4-methyl-1,3-oxathiolan-5-one 2-tert-Butyl-4-methyl-4-(1-oxidanylcyclohex-2-en-1-yl)-1,3-oxathiolan-5-one
Wiley ID 1489146