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(3a,7a-cis)-octahydro-2-phenyl-3-(p-toluenesulfonyl)benzoxazole
SpectraBase Compound ID HTzrShZkWUM
InChI InChI=1S/C20H23NO3S/c1-15-11-13-17(14-12-15)25(22,23)21-18-9-5-6-10-19(18)24-20(21)16-7-3-2-4-8-16/h2-4,7-8,11-14,18-20H,5-6,9-10H2,1H3/t18-,19+,20?/m0/s1
InChIKey AMWFAZOVDVYISG-ABZYKWASSA-N
Mol Weight 357.47 g/mol
Molecular Formula C20H23NO3S
Exact Mass 357.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GLhQF8X3I
Name (3a,7a-cis)-octahydro-2-phenyl-3-(p-toluenesulfonyl)benzoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO3S
InChI InChI=1S/C20H23NO3S/c1-15-11-13-17(14-12-15)25(22,23)21-18-9-5-6-10-19(18)24-20(21)16-7-3-2-4-8-16/h2-4,7-8,11-14,18-20H,5-6,9-10H2,1H3/t18-,19+,20?/m0/s1
InChIKey AMWFAZOVDVYISG-ABZYKWASSA-N
Molecular Weight 357.468 g/mol
SMILES c1(S(N2C(O[C@]3([C@@]2(CCCC3)[H])[H])c2ccccc2)(=O)=O)ccc(cc1)C
SPLASH splash10-0f7o-8290000000-ad735e13d69095f61bc6
Source of Spectrum AG-560-197-0
Synonyms (3aS,7aR)-3-[(4-methylphenyl)sulfonyl]-2-phenyloctahydro-1,3-benzoxazole
Wiley ID 1346466