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(3S,4aS,8aR)-3,4,4a,7,8,8a-Hexahydro-3-hydroxy-6-methylnaphthalene-1-methanol alpha-Methanesulfonate
SpectraBase Compound ID 9tPNnL4Rwes
InChI InChI=1S/C13H20O4S/c1-9-3-4-13-10(5-9)6-12(14)7-11(13)8-17-18(2,15)16/h5,7,10,12-14H,3-4,6,8H2,1-2H3/t10-,12+,13-/m1/s1
InChIKey LYIWULFBIUFPQF-KGYLQXTDSA-N
Mol Weight 272.36 g/mol
Molecular Formula C13H20O4S
Exact Mass 272.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MOXH5XO7vT
Name (3S,4aS,8aR)-3,4,4a,7,8,8a-Hexahydro-3-hydroxy-6-methylnaphthalene-1-methanol alpha-Methanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4S
InChI InChI=1S/C13H20O4S/c1-9-3-4-13-10(5-9)6-12(14)7-11(13)8-17-18(2,15)16/h5,7,10,12-14H,3-4,6,8H2,1-2H3/t10-,12+,13-/m1/s1
InChIKey LYIWULFBIUFPQF-KGYLQXTDSA-N
Literature Reference DOI 10.1002/hlca.200690025
Molecular Weight 272.359 g/mol
SMILES O[C@@]1(C=C([C@@]2(CCC(=C[C@@]2(C1)[H])C)[H])COS(=O)(=O)C)[H]
SPLASH splash10-002f-8900000000-8cda31cf450627037dcd
Source of Spectrum H-89-236-236_3
Synonyms ((3S,4aS,8aR)-3-hydroxy-6-methyl-3,4,4a,7,8,8a-hexahydronaphthalen-1-yl)methyl methanesulfonate
Wiley ID 1785661