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trans-3,3a,4,5,6,7-Hexahydro-7-(N-phenyl-3-indolyl)cyclohexa[c]isoxazole
SpectraBase Compound ID KvsuStIgub9
InChI InChI=1S/C21H20N2O/c1-2-8-16(9-3-1)23-13-19(17-10-4-5-12-20(17)23)18-11-6-7-15-14-24-22-21(15)18/h1-5,8-10,12-13,15,18H,6-7,11,14H2/t15-,18-/m0/s1
InChIKey AYSRAZINQSZCKO-YJBOKZPZSA-N
Mol Weight 316.4 g/mol
Molecular Formula C21H20N2O
Exact Mass 316.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KXhayCzsre
Name trans-3,3a,4,5,6,7-Hexahydro-7-(N-phenyl-3-indolyl)cyclohexa[c]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O
InChI InChI=1S/C21H20N2O/c1-2-8-16(9-3-1)23-13-19(17-10-4-5-12-20(17)23)18-11-6-7-15-14-24-22-21(15)18/h1-5,8-10,12-13,15,18H,6-7,11,14H2/t15-,18-/m0/s1
InChIKey AYSRAZINQSZCKO-YJBOKZPZSA-N
Molecular Weight 316.404 g/mol
SMILES c1(c[n](-c2ccccc2)c2c1cccc2)[C@]1(C2=NOC[C@]2([H])CCC1)[H]
SPLASH splash10-0690-2493000000-d8463af9c49ae0eb44fd
Source of Spectrum F-55-7123-9
Synonyms (3aR,7S)-7-(1-phenyl-1H-indol-3-yl)-3,3a,4,5,6,7-hexahydro-2,1-benzisoxazole (3aR,7S)-7-(1-Phenyl-1H-indol-3-yl)-3,3a,4,5,6,7-hexahydro-benzo[c]isoxazole
Wiley ID 838151