5-(Ethylsulfonyl)-2-[(3S)-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-1,3-benzoxazole

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

ID: Reference9693

Other Names: Benzoxazole, 5-(ethylsulfonyl)-2-[(3S)-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-;
NAT31-458112

Formula: C18H24N2O4S

Spectral Data

5-(Ethylsulfonyl)-2-[(3S)-1-(tetrahydro-2H-pyran-4-yl)-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 1895
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 5/15/2020 10:08:59 AM
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Identificators

InChI InChI=1S/C18H24N2O4S/c1-2-25(21,22)15-3-4-17-16(11-15)19-18(24-17)13-5-8-20(12-13)14-6-9-23-10-7-14/h3-4,11,13-14H,2,5-10,12H2,1H3/t13-/m0/s1
InChI Key MGJFSAWHYXYBKW-ZDUSSCGKSA-N
Canonical SMILES CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3CCN(C3)C4CCOCC4
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Other Names Benzoxazole, 5-(ethylsulfonyl)-2-[(3S)-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-;
NAT31-458112

In Other Databases

PubChem 51137142
ChemSpider 29850163