For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pyrrolo[1,2-b]isoxazole, hexahydro-6,6-dimethyl-5-phenyl-2-(phenylsulfonyl)-
SpectraBase Compound ID 2siLpyzdjMx
InChI InChI=1S/C20H23NO3S/c1-20(2)18(15-9-5-3-6-10-15)13-16-14-19(24-21(16)20)25(22,23)17-11-7-4-8-12-17/h3-12,16,18-19H,13-14H2,1-2H3
InChIKey VGXIRFUBJPHTEB-UHFFFAOYSA-N
Mol Weight 357.47 g/mol
Molecular Formula C20H23NO3S
Exact Mass 357.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BrkNidnIbjz
Name Pyrrolo[1,2-b]isoxazole, hexahydro-6,6-dimethyl-5-phenyl-2-(phenylsulfonyl)-
CAS Registry Number 106260-82-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO3S
InChI InChI=1S/C20H23NO3S/c1-20(2)18(15-9-5-3-6-10-15)13-16-14-19(24-21(16)20)25(22,23)17-11-7-4-8-12-17/h3-12,16,18-19H,13-14H2,1-2H3
InChIKey VGXIRFUBJPHTEB-UHFFFAOYSA-N
Molecular Weight 357.468 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)ON2C(C)(C)C(CC2C1)c1ccccc1
SPLASH splash10-004i-9700000000-e91a686e9b856c6c8f77
Source of Spectrum AJ-59-1241-15
Synonyms 6,6-Dimethyl-2,3,3a,4,5,6-hexahydro-5-phenyl-2-(phenylsulfonyl)pyrrolo[1,2-b]isoxazole 6,6-Dimethyl-5-phenyl-2-(phenylsulfonyl)hexahydropyrrolo[1,2-b]isoxazole 6,6-Dimethyl-5-phenylhexahydropyrrolo[1,2-b]isoxazol-2-yl phenyl sulfone
Wiley ID 1346459