(3R,5S)-1-(Cyclopropylmethyl)-5-(3-{[(4-methylphenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-3-pyrrolidinol

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

ID: Reference9362

Other Names: 3-Pyrrolidinol, 1-(cyclopropylmethyl)-5-[3-[[(4-methylphenyl)sulfonyl]methyl]-1,2,4-oxadiazol-5-yl]-, (3R,5S)-;
NAT18-349178

Formula: C18H23N3O4S

Spectral Data

(3R,5S)-1-(Cyclopropylmethyl)-5-(3-{[(4-methylphenyl)sulfonyl]methyl}-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 2
No. of Spectra 2672
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/6/2020 7:55:53 AM
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Identificators

InChI InChI=1S/C18H23N3O4S/c1-12-2-6-15(7-3-12)26(23,24)11-17-19-18(25-20-17)16-8-14(22)10-21(16)9-13-4-5-13/h2-3,6-7,13-14,16,22H,4-5,8-11H2,1H3/t14-,16+/m1/s1
InChI Key AXNWXVAOINYMRB-ZBFHGGJFSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)CC2=NOC(=N2)C3CC(CN3CC4CC4)O
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Other Names 3-Pyrrolidinol, 1-(cyclopropylmethyl)-5-[3-[[(4-methylphenyl)sulfonyl]methyl]-1,2,4-oxadiazol-5-yl]-, (3R,5S)-;
NAT18-349178

In Other Databases

PubChem 26744052
ChemSpider 21386407