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(2S)-2-[(3aR,5S,6S,6aR)-6-(Benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-5,7-diphenyl-2,3-dihydro-1,4-oxazepine

View entire compound with spectra: 1 MS (GC)

(2S)-2-[(3aR,5S,6S,6aR)-6-(Benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-5,7-diphenyl-2,3-dihydro-1,4-oxazepine
SpectraBase Compound ID 9iCJ5zthh0r
InChI InChI=1S/C31H31NO5/c1-31(2)36-29-28(33-20-21-12-6-3-7-13-21)27(35-30(29)37-31)26-19-32-24(22-14-8-4-9-15-22)18-25(34-26)23-16-10-5-11-17-23/h3-18,26-30H,19-20H2,1-2H3/t26-,27-,28-,29?,30?/m0/s1
InChIKey SKILOXRJHYSIJI-BYYAUFHQSA-N
Mol Weight 497.59 g/mol
Molecular Formula C31H31NO5
Exact Mass 497.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6ct9nAYjTS
Name (2S)-2-[(3aR,5S,6S,6aR)-6-(Benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-5,7-diphenyl-2,3-dihydro-1,4-oxazepine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H31NO5
InChI InChI=1S/C31H31NO5/c1-31(2)36-29-28(33-20-21-12-6-3-7-13-21)27(35-30(29)37-31)26-19-32-24(22-14-8-4-9-15-22)18-25(34-26)23-16-10-5-11-17-23/h3-18,26-30H,19-20H2,1-2H3/t26-,27-,28-,29?,30?/m0/s1
InChIKey SKILOXRJHYSIJI-BYYAUFHQSA-N
Molecular Weight 497.591 g/mol
SMILES C12C(O[C@]([C@@]2(OCc2ccccc2)[H])([C@]2(OC(=CC(=NC2)c2ccccc2)c2ccccc2)[H])[H])OC(O1)(C)C
SPLASH splash10-0002-0000900000-403493dcdb9d48c01c44
Source of Spectrum F4-43-3525-2
Wiley ID 1690813