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(3S*,3aS*,7aS*)-1-(Phenylmethyl)-3-[1-(phenylthio)ethenyl]hexahydro-2,1-benzisoxazoline
SpectraBase Compound ID A560ZrR3v9h
InChI InChI=1S/C22H25NOS/c1-17(25-19-12-6-3-7-13-19)22-20-14-8-9-15-21(20)23(24-22)16-18-10-4-2-5-11-18/h2-7,10-13,20-22H,1,8-9,14-16H2/t20-,21-,22+/m0/s1
InChIKey JOMBBDJDLBFCBY-FDFHNCONSA-N
Mol Weight 351.51 g/mol
Molecular Formula C22H25NOS
Exact Mass 351.165686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rA7oJsP6zm
Name (3S*,3aS*,7aS*)-1-(Phenylmethyl)-3-[1-(phenylthio)ethenyl]hexahydro-2,1-benzisoxazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NOS
InChI InChI=1S/C22H25NOS/c1-17(25-19-12-6-3-7-13-19)22-20-14-8-9-15-21(20)23(24-22)16-18-10-4-2-5-11-18/h2-7,10-13,20-22H,1,8-9,14-16H2/t20-,21-,22+/m0/s1
InChIKey JOMBBDJDLBFCBY-FDFHNCONSA-N
Molecular Weight 351.508 g/mol
SMILES [C@]1(ON([C@@]2([C@@]1(CCCC2)[H])[H])Cc1ccccc1)(C(Sc1ccccc1)=C)[H]
SPLASH splash10-0006-9006000000-8fa9456a9f69328eb298
Source of Spectrum QA-45-169-9
Wiley ID 862721