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3-(m,p-Dimethoxybenzyl)-2-(1'-cyanocyclohexyl)-6-phenyl-1-oxa-2,5-diaza-4-oxocyclohexane
SpectraBase Compound ID Br1cC9j7yzl
InChI InChI=1S/C25H29N3O4/c1-30-21-12-11-18(16-22(21)31-2)15-20-23(29)27-24(19-9-5-3-6-10-19)32-28(20)25(17-26)13-7-4-8-14-25/h3,5-6,9-12,16,20,24H,4,7-8,13-15H2,1-2H3,(H,27,29)/t20-,24+/m1/s1
InChIKey IHTYIUAEZGIGTD-YKSBVNFPSA-N
Mol Weight 435.52 g/mol
Molecular Formula C25H29N3O4
Exact Mass 435.215806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GI109vwNNxs
Name 3-(m,p-Dimethoxybenzyl)-2-(1'-cyanocyclohexyl)-6-phenyl-1-oxa-2,5-diaza-4-oxocyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29N3O4
InChI InChI=1S/C25H29N3O4/c1-30-21-12-11-18(16-22(21)31-2)15-20-23(29)27-24(19-9-5-3-6-10-19)32-28(20)25(17-26)13-7-4-8-14-25/h3,5-6,9-12,16,20,24H,4,7-8,13-15H2,1-2H3,(H,27,29)/t20-,24+/m1/s1
InChIKey IHTYIUAEZGIGTD-YKSBVNFPSA-N
Molecular Weight 435.524 g/mol
SMILES N1C([C@](N(O[C@]1(c1ccccc1)[H])C1(C#N)CCCCC1)(Cc1cc(OC)c(cc1)OC)[H])=O
SPLASH splash10-0udi-0900000000-1ee1e780647713b619b2
Source of Spectrum F-52-7595-3
Synonyms 1-[(3R,6S)-3-(3,4-Dimethoxy-benzyl)-4-oxo-6-phenyl-[1,2,5]oxadiazinan-2-yl]-cyclohexanecarbonitrile
Wiley ID 796796