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(3S,3aS,7aR)-1-Methyl-3-(1-phenylsulfanyl-vinyl)-octahydro-benzo[c]isoxazole
SpectraBase Compound ID 6LrpPyb53mz
InChI InChI=1S/C16H21NOS/c1-12(19-13-8-4-3-5-9-13)16-14-10-6-7-11-15(14)17(2)18-16/h3-5,8-9,14-16H,1,6-7,10-11H2,2H3/t14-,15+,16+/m0/s1
InChIKey NHRVQKBIKOWHFR-ARFHVFGLSA-N
Mol Weight 275.41 g/mol
Molecular Formula C16H21NOS
Exact Mass 275.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8FmaDJRTGK
Name (3S,3aS,7aR)-1-Methyl-3-(1-phenylsulfanyl-vinyl)-octahydro-benzo[c]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NOS
InChI InChI=1S/C16H21NOS/c1-12(19-13-8-4-3-5-9-13)16-14-10-6-7-11-15(14)17(2)18-16/h3-5,8-9,14-16H,1,6-7,10-11H2,2H3/t14-,15+,16+/m0/s1
InChIKey NHRVQKBIKOWHFR-ARFHVFGLSA-N
Molecular Weight 275.410 g/mol
SMILES [C@]1(ON(C)[C@]2([C@@]1(CCCC2)[H])[H])(C(Sc1ccccc1)=C)[H]
SPLASH splash10-016r-4930000000-acdbac574de88a514583
Source of Spectrum QA-45-169-8
Synonyms (3S*,3aS*,7aR*)-1-Methyl-3-[1-(phenylthio)ethenyl]hexahydro-2,1-benzisoxazoline (3S*,3aS*,7aS*)-1-Methyl-3-[1-(phenylthio)ethenyl]hexahydro-2,1-benzisoxazole (3S,3aS,7aR)-1-methyl-3-[1-(phenylsulfanyl)vinyl]octahydro-2,1-benzisoxazole 1-[(3S,3aS,7aR)-1-methyloctahydro-2,1-benzisoxazol-3-yl]vinyl phenyl sulfide
Wiley ID 862723