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(3S,4'S)-2-Benzyl-4,4-dimethoxy-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-5-phenylethynyl-2,3,4,7-tetrahydro-[1,2]oxazepine

View entire compound with spectra: 1 MS (GC)

(3S,4'S)-2-Benzyl-4,4-dimethoxy-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-5-phenylethynyl-2,3,4,7-tetrahydro-[1,2]oxazepine
SpectraBase Compound ID 1BjPTkDTSYh
InChI InChI=1S/C27H31NO5/c1-26(2)31-20-24(33-26)25-27(29-3,30-4)23(16-15-21-11-7-5-8-12-21)17-18-32-28(25)19-22-13-9-6-10-14-22/h5-14,17,24-25H,18-20H2,1-4H3/t24-,25+/m1/s1
InChIKey NQYHLNMRCQSFLL-RPBOFIJWSA-N
Mol Weight 449.55 g/mol
Molecular Formula C27H31NO5
Exact Mass 449.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9T1jrWZrW9
Name (3S,4'S)-2-Benzyl-4,4-dimethoxy-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-5-phenylethynyl-2,3,4,7-tetrahydro-[1,2]oxazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31NO5
InChI InChI=1S/C27H31NO5/c1-26(2)31-20-24(33-26)25-27(29-3,30-4)23(16-15-21-11-7-5-8-12-21)17-18-32-28(25)19-22-13-9-6-10-14-22/h5-14,17,24-25H,18-20H2,1-4H3/t24-,25+/m1/s1
InChIKey NQYHLNMRCQSFLL-RPBOFIJWSA-N
Molecular Weight 449.547 g/mol
SMILES [C@@]1(N(OCC=C(C#Cc2ccccc2)C1(OC)OC)Cc1ccccc1)([C@@]1(OC(C)(C)OC1)[H])[H]
SPLASH splash10-03di-2090000000-cea017dab916b84158d5
Source of Spectrum F4-42-311-5
Wiley ID 1673546