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2,1-Benzisoxazole, 3,3a,4,5,6,7-hexahydro-3-phenyl-7-(2-propenyl)-, (3.alpha.,3a.alpha.,7.beta.)-
SpectraBase Compound ID DCoVNX0KG12
InChI InChI=1S/C16H19NO/c1-2-7-12-10-6-11-14-15(12)17-18-16(14)13-8-4-3-5-9-13/h2-5,8-9,12,14,16H,1,6-7,10-11H2/t12-,14+,16-/m1/s1
InChIKey PSPFZXLFPMYORG-IVMMDQJWSA-N
Mol Weight 241.33 g/mol
Molecular Formula C16H19NO
Exact Mass 241.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWe8TM07q4p
Name 2,1-Benzisoxazole, 3,3a,4,5,6,7-hexahydro-3-phenyl-7-(2-propenyl)-, (3.alpha.,3a.alpha.,7.beta.)-
CAS Registry Number 121948-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO
InChI InChI=1S/C16H19NO/c1-2-7-12-10-6-11-14-15(12)17-18-16(14)13-8-4-3-5-9-13/h2-5,8-9,12,14,16H,1,6-7,10-11H2/t12-,14+,16-/m1/s1
InChIKey PSPFZXLFPMYORG-IVMMDQJWSA-N
Molecular Weight 241.334 g/mol
SMILES C12=NO[C@@]([C@]2(CCC[C@]1(CC=C)[H])[H])(c1ccccc1)[H]
SPLASH splash10-0006-0090000000-3eadf8de37e1d3b49833
Source of Spectrum KC-1989-295-0
Synonyms (3RS,3aRS,7RS)-7-allyl-3-phenyl-3,3a,4,5,6,7-hexahydro-benz[c]isoxazole (3S,3aS,7S)-7-allyl-3-phenyl-3,3a,4,5,6,7-hexahydro-2,1-benzisoxazole
Wiley ID 1244307