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(3S*,3aS*,7aR*)-1-(Methyl)-3-[1-(phenylthio)ethenyl]hexahydro-2,1-benzisoxazoline
SpectraBase Compound ID HJW13AR1m2t
InChI InChI=1S/C16H21NO3S/c1-12(21(18,19)13-8-4-3-5-9-13)16-14-10-6-7-11-15(14)17(2)20-16/h3-5,8-9,14-16H,1,6-7,10-11H2,2H3/t14-,15+,16+/m0/s1
InChIKey TWXNSYGRCCCXTN-ARFHVFGLSA-N
Mol Weight 307.41 g/mol
Molecular Formula C16H21NO3S
Exact Mass 307.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcYsNhKqg5I
Name (3S*,3aS*,7aR*)-1-(Methyl)-3-[1-(phenylthio)ethenyl]hexahydro-2,1-benzisoxazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3S
InChI InChI=1S/C16H21NO3S/c1-12(21(18,19)13-8-4-3-5-9-13)16-14-10-6-7-11-15(14)17(2)20-16/h3-5,8-9,14-16H,1,6-7,10-11H2,2H3/t14-,15+,16+/m0/s1
InChIKey TWXNSYGRCCCXTN-ARFHVFGLSA-N
Molecular Weight 307.408 g/mol
SMILES C(S(=O)(=O)c1ccccc1)([C@]1(ON(C)[C@]2([C@@]1(CCCC2)[H])[H])[H])=C
SPLASH splash10-0ar0-9708000000-33184f2904e603931201
Source of Spectrum QA-45-169-8
Synonyms (3S*,3aS*,7aR*)-1-(Methyl)-3-[1-(phenylthio)ethenyl]octahydro-2,1-benzisoxazoline
Wiley ID 862720