(3R,5S)-1-Cyclohexyl-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinol

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Systematic / IUPAC Name: (3R,5S)-1-Cyclohexyl-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

ID: Reference12961

Other Names: NAT18-349700

Formula: C18H22N4O4

Spectral Data

(3R,5S)-1-Cyclohexyl-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinol 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 310
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 1/5/2024 10:30:01 AM
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Identificators

InChI InChI=1S/C18H22N4O4/c23-15-10-16(21(11-15)13-6-2-1-3-7-13)18-19-17(20-26-18)12-5-4-8-14(9-12)22(24)25/h4-5,8-9,13,15-16,23H,1-3,6-7,10-11H2/t15-,16+/m1/s1
InChI Key MRQADEITMJAGGK-CVEARBPZSA-N
Canonical SMILES C1CCC(CC1)N2CC(CC2C3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])O
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Other Names NAT18-349700

In Other Databases

PubChem 26744309
ChemSpider 21386530