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Morpholine, 3-methyl-4-[6-(2-nitro-1-phenylethyl)-1-cyclohexen-1-yl]-2-phenyl-, [2R-[2.alpha.,3.alpha.,4[R*(S*)]]]-
SpectraBase Compound ID ILPBgkIu2v6
InChI InChI=1S/C25H30N2O3/c1-19-25(21-12-6-3-7-13-21)30-17-16-26(19)24-15-9-8-14-22(24)23(18-27(28)29)20-10-4-2-5-11-20/h2-7,10-13,15,19,22-23,25H,8-9,14,16-18H2,1H3/t19-,22+,23+,25-/m0/s1
InChIKey JIHOUAZDWJPSFM-JECRDHHXSA-N
Mol Weight 406.53 g/mol
Molecular Formula C25H30N2O3
Exact Mass 406.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hp6mUvsAjTf
Name Morpholine, 3-methyl-4-[6-(2-nitro-1-phenylethyl)-1-cyclohexen-1-yl]-2-phenyl-, [2R-[2.alpha.,3.alpha.,4[R*(S*)]]]-
CAS Registry Number 83976-49-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N2O3
InChI InChI=1S/C25H30N2O3/c1-19-25(21-12-6-3-7-13-21)30-17-16-26(19)24-15-9-8-14-22(24)23(18-27(28)29)20-10-4-2-5-11-20/h2-7,10-13,15,19,22-23,25H,8-9,14,16-18H2,1H3/t19-,22+,23+,25-/m0/s1
InChIKey JIHOUAZDWJPSFM-JECRDHHXSA-N
Molecular Weight 406.526 g/mol
SMILES C=1(N2[C@]([C@@](c3ccccc3)(OCC2)[H])(C)[H])[C@@]([C@](CN(=O)=O)(c2ccccc2)[H])(CCCC1)[H]
SPLASH splash10-00di-0900400000-15e5faccd61c14966854
Source of Spectrum H-65-1651-0
Synonyms (+)-(2R,3S,6'R,1''S)-3-methyl-N-[6'-2''-nitro-1''-phenylethyl)-1-cyclohexenyl]-2-phenylmorpholine (+)-(2R,3S,6'R,1''S)-3-Methyl-N-[6'-2''-nitro-1''-phenylethyl)-1-cyclohexenyl]-2-phenylmorpholine (2R,3S)-3-methyl-4-{(6R)-6-[(1S)-2-nitro-1-phenylethyl]-1-cyclohexen-1-yl}-2-phenylmorpholine
Wiley ID 1372332