5-(Ethylsulfonyl)-2-[(3S)-1-(4-methoxybenzyl)-3-pyrrolidinyl]-1,3-benzoxazole

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Systematic / IUPAC Name: 5-Ethylsulfonyl-2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole

ID: Reference10365

Other Names: Benzoxazole, 5-(ethylsulfonyl)-2-[(3S)-1-[(4-methoxyphenyl)methyl]-3-pyrrolidinyl]-;
NAT31-458075

Formula: C21H24N2O4S

Spectral Data

5-(Ethylsulfonyl)-2-[(3S)-1-(4-methoxybenzyl)-3-pyrrolidinyl]-1,3-benzoxazole 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 295
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 4/9/2021 1:54:16 PM
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Identificators

InChI InChI=1S/C21H24N2O4S/c1-3-28(24,25)18-8-9-20-19(12-18)22-21(27-20)16-10-11-23(14-16)13-15-4-6-17(26-2)7-5-15/h4-9,12,16H,3,10-11,13-14H2,1-2H3/t16-/m0/s1
InChI Key UXGLRHSLZYCSJX-INIZCTEOSA-N
Canonical SMILES CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3CCN(C3)CC4=CC=C(C=C4)OC
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Other Names Benzoxazole, 5-(ethylsulfonyl)-2-[(3S)-1-[(4-methoxyphenyl)methyl]-3-pyrrolidinyl]-;
NAT31-458075

In Other Databases

PubChem 51137129
ChemSpider 29850147