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-propyn-1-amine

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Systematic / IUPAC Name: 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]prop-2-yn-1-amine

ID: Reference12182

Other Names: NAT28-412957

Formula: C23H28N4O3

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-propyn-1-amine 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 1345
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/27/2023 9:16:34 AM
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Identificators

InChI InChI=1S/C23H28N4O3/c1-5-10-24-14-19-11-16(4)18(12-21(19)15(2)3)13-22-25-26-23(30-22)17-6-8-20(9-7-17)27(28)29/h1,6-9,11,15,18-19,21,24H,10,12-14H2,2-4H3/t18-,19-,21-/m0/s1
InChI Key QWRFZWZHXUJQOH-ZJOUEHCJSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C)CNCC#C
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Other Names NAT28-412957

In Other Databases

PubChem 38030964
ChemSpider 22937519