N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-2-methoxyethanamine

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Systematic / IUPAC Name: 2-Methoxy-N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethanamine

ID: Reference12181

Other Names: NAT28-412932

Formula: C23H32N4O4

Spectral Data

N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-2-methoxyethanamine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1380
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/27/2023 9:13:42 AM
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Identificators

InChI InChI=1S/C23H32N4O4/c1-15(2)21-12-18(16(3)11-19(21)14-24-9-10-30-4)13-22-25-26-23(31-22)17-5-7-20(8-6-17)27(28)29/h5-8,11,15,18-19,21,24H,9-10,12-14H2,1-4H3/t18-,19-,21-/m0/s1
InChI Key PUVPNARXDYRJBU-ZJOUEHCJSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C)CNCCOC
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Other Names NAT28-412932

In Other Databases

ChemSpider 22937516
PubChem 38030943