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(2R,3aR,4S,5S)-2-(2-Bromophenyl)-4,5-di-tert-butoxyhexahydropyrrolo[1,2-b][1,2]oxazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2R,3aR,4S,5S)-2-(2-Bromophenyl)-4,5-di-tert-butoxyhexahydropyrrolo[1,2-b][1,2]oxazole
SpectraBase Compound ID 7b5A9ez9YwM
InChI InChI=1S/C20H30BrNO3/c1-19(2,3)23-17-12-22-15(18(17)24-20(4,5)6)11-16(25-22)13-9-7-8-10-14(13)21/h7-10,15-18H,11-12H2,1-6H3/t15-,16-,17+,18+/m1/s1
InChIKey HTRMQGZKDGOKOJ-BDXSIMOUSA-N
Mol Weight 412.37 g/mol
Molecular Formula C20H30BrNO3
Exact Mass 411.140907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jj8I1OxDnEm
Name (2R,3aR,4S,5S)-2-(2-Bromophenyl)-4,5-di-tert-butoxyhexahydropyrrolo[1,2-b][1,2]oxazole
Alternate Name(s) (2R,3aR,4S,5S)-2-(2-bromophenyl)-4,5-di-tert-butoxyhexahydropyrrolo[1,2-b]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30BrNO3
InChI InChI=1S/C20H30BrNO3/c1-19(2,3)23-17-12-22-15(18(17)24-20(4,5)6)11-16(25-22)13-9-7-8-10-14(13)21/h7-10,15-18H,11-12H2,1-6H3/t15-,16-,17+,18+/m1/s1
InChIKey HTRMQGZKDGOKOJ-BDXSIMOUSA-N
Molecular Weight 412.368 g/mol
SMILES [C@]12(N(C[C@@]([C@]2(OC(C)(C)C)[H])(OC(C)(C)C)[H])O[C@](C1)(c1c(Br)cccc1)[H])[H]
SPLASH splash10-0a4i-9011000000-a7842a4c5de32f65ecd1
Source of Spectrum U1-2013-4883-11b
Wiley ID 1736074