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Methyl 3-hydroxy-4a,5,6,7,8,8a-hexahydro-4H-thiochromene-2-carboxylate
SpectraBase Compound ID 6m41OfpK4pH
InChI InChI=1S/C11H16O3S/c1-14-11(13)10-8(12)6-7-4-2-3-5-9(7)15-10/h7,9,12H,2-6H2,1H3
InChIKey MJIGKSAHHVUAKT-UHFFFAOYSA-N
Mol Weight 228.31 g/mol
Molecular Formula C11H16O3S
Exact Mass 228.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkN7E1P3XRc
Name Methyl 3-hydroxy-4a,5,6,7,8,8a-hexahydro-4H-thiochromene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3S
InChI InChI=1S/C11H16O3S/c1-14-11(13)10-8(12)6-7-4-2-3-5-9(7)15-10/h7,9,12H,2-6H2,1H3
InChIKey MJIGKSAHHVUAKT-UHFFFAOYSA-N
Molecular Weight 228.306 g/mol
SMILES OC1=C(SC2CCCCC2C1)C(=O)OC
SPLASH splash10-0002-5930000000-8780c3b1781ad2792641
Source of Spectrum SB-48-421-1
Synonyms Methyl 3-hydroxy-4a,5,6,7,8,8a-hexahydro-4H-1-benzothiopyran-2-carboxylate
Wiley ID 1229371