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(2S,3aS,4S)-Hexahydro-4-tert-butoxy-2-phenypyrrolo[1,2-b]isoxazole

View entire compound with spectra: 1 MS (GC)

(2S,3aS,4S)-Hexahydro-4-tert-butoxy-2-phenypyrrolo[1,2-b]isoxazole
SpectraBase Compound ID 7PFLCvJfjIc
InChI InChI=1S/C16H23NO2/c1-16(2,3)18-14-9-10-17-13(14)11-15(19-17)12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3/t13-,14-,15-/m0/s1
InChIKey LKXUAMZSWVNLNJ-KKUMJFAQSA-N
Mol Weight 261.36 g/mol
Molecular Formula C16H23NO2
Exact Mass 261.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eq7FQMnMO
Name (2S,3aS,4S)-Hexahydro-4-tert-butoxy-2-phenypyrrolo[1,2-b]isoxazole
Alternate Name(s) (2S,3aS,4R)-Hexahydro-4-tert-butoxy-2-phenypyrrolo[1,2-b]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO2
InChI InChI=1S/C16H23NO2/c1-16(2,3)18-14-9-10-17-13(14)11-15(19-17)12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3/t13-,14-,15-/m0/s1
InChIKey LKXUAMZSWVNLNJ-KKUMJFAQSA-N
Molecular Weight 261.365 g/mol
SMILES [C@]12(N(O[C@@](C2)(c2ccccc2)[H])CC[C@@]1(OC(C)(C)C)[H])[H]
SPLASH splash10-0pb9-5960000000-953ad51101d8686ddf86
Source of Spectrum QC-8-298-22
Wiley ID 869634