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(4aR,8aS)-4a,5,6,8a-Tetrahydro-7-methyl-4-{[(methylsulfonyl)oxy]methyl}naphthalen-2(1H)-one
SpectraBase Compound ID FQTKf4LjqwA
InChI InChI=1S/C13H18O4S/c1-9-3-4-13-10(5-9)6-12(14)7-11(13)8-17-18(2,15)16/h5,7,10,13H,3-4,6,8H2,1-2H3/t10-,13-/m1/s1
InChIKey PSHBHNHHJRHLGI-ZWNOBZJWSA-N
Mol Weight 270.34 g/mol
Molecular Formula C13H18O4S
Exact Mass 270.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID By2eKSVZWRt
Name (4aR,8aS)-4a,5,6,8a-Tetrahydro-7-methyl-4-{[(methylsulfonyl)oxy]methyl}naphthalen-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4S
InChI InChI=1S/C13H18O4S/c1-9-3-4-13-10(5-9)6-12(14)7-11(13)8-17-18(2,15)16/h5,7,10,13H,3-4,6,8H2,1-2H3/t10-,13-/m1/s1
InChIKey PSHBHNHHJRHLGI-ZWNOBZJWSA-N
Literature Reference DOI 10.1002/hlca.200690025
Molecular Weight 270.343 g/mol
SMILES C(OS(=O)(=O)C)C=1[C@@]2(CCC(=C[C@@]2(CC(C1)=O)[H])C)[H]
SPLASH splash10-0089-0900000000-cdda3d394e198cd94d14
Source of Spectrum H-89-236-9b
Synonyms ((4aS,8aR)-6-methyl-3-oxo-3,4,4a,7,8,8a-hexahydronaphthalen-1-yl)methyl methanesulfonate
Wiley ID 1785666