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

View entire compound with spectra: 1 MS (GC)

(3R,4'S)-2-Benzyl-4,4-dimethoxy-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-5-(3-methoxyprop-1-yn-1-yl)-2,3,4,7-tetrahydro-[1,2]oxazepine
SpectraBase Compound ID 3UyKY6Qz1fA
InChI InChI=1S/C23H31NO6/c1-22(2)28-17-20(30-22)21-23(26-4,27-5)19(12-9-14-25-3)13-15-29-24(21)16-18-10-7-6-8-11-18/h6-8,10-11,13,20-21H,14-17H2,1-5H3/t20-,21-/m1/s1
InChIKey OZSFJJDHRQVOSX-NHCUHLMSSA-N
Mol Weight 417.5 g/mol
Molecular Formula C23H31NO6
Exact Mass 417.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYgKy441cyw
Name (3R,4'S)-2-Benzyl-4,4-dimethoxy-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-5-(3-methoxyprop-1-yn-1-yl)-2,3,4,7-tetrahydro-[1,2]oxazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO6
InChI InChI=1S/C23H31NO6/c1-22(2)28-17-20(30-22)21-23(26-4,27-5)19(12-9-14-25-3)13-15-29-24(21)16-18-10-7-6-8-11-18/h6-8,10-11,13,20-21H,14-17H2,1-5H3/t20-,21-/m1/s1
InChIKey OZSFJJDHRQVOSX-NHCUHLMSSA-N
Molecular Weight 417.502 g/mol
SMILES [C@]1(N(OCC=C(C1(OC)OC)C#CCOC)Cc1ccccc1)([C@@]1(OC(C)(C)OC1)[H])[H]
SPLASH splash10-001i-2900000000-b2dcc5d9d949c9287967
Source of Spectrum F4-42-312-6
Wiley ID 1711838