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3-Methyl-4-[6-(2-nitro-1-phenylethyl)-1-cyclohexen-1-yl]-2-phenylmorpholine
SpectraBase Compound ID HqTLUepzKEQ
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
InChIKey JIHOUAZDWJPSFM-UHFFFAOYSA-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 42dokSH2sou
Name 3-Methyl-4-[6-(2-nitro-1-phenylethyl)-1-cyclohexen-1-yl]-2-phenylmorpholine
CAS Registry Number 84025-88-7
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
InChIKey JIHOUAZDWJPSFM-UHFFFAOYSA-N
Molecular Weight 406.526 g/mol
SMILES c1(ccccc1)C(CN(=O)=O)C1C(=CCCC1)N1CCOC(c2ccccc2)C1C
SPLASH splash10-00di-0900000000-6a7258926eedf12aee22
Source of Spectrum H-65-1651-0
Synonyms 3-methyl-4-[6-(2-nitro-1-phenyl-ethyl)cyclohexen-1-yl]-2-phenyl-morpholine 3-methyl-4-[6-(2-nitro-1-phenylethyl)-1-cyclohexenyl]-2-phenylmorpholine Morpholine, 3-methyl-2-phenyl-4-[6-(2-nitro-1-phenylethyl)cyclohex-1-en-1-yl]-
Wiley ID 1372331