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

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

ID: Reference12471

Other Names: NAT18-349742

Formula: C20H20N4O6S

Spectral Data

(3R,5S)-1-[4-(Methylsulfonyl)benzyl]-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 750
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2023 8:27:38 AM
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Identificators

InChI InChI=1S/C20H20N4O6S/c1-31(28,29)17-7-5-13(6-8-17)11-23-12-16(25)10-18(23)20-21-19(22-30-20)14-3-2-4-15(9-14)24(26)27/h2-9,16,18,25H,10-12H2,1H3/t16-,18+/m1/s1
InChI Key VGVTWZBUVXDWLD-AEFFLSMTSA-N
Canonical SMILES CS(=O)(=O)C1=CC=C(C=C1)CN2CC(CC2C3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])O
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Other Names NAT18-349742

In Other Databases

PubChem 26744361
ChemSpider 21386556