Methyl 2-[(3S)-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-1,3-benzoxazole-7-carboxylate

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Systematic / IUPAC Name: Methyl 2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3-benzoxazole-7-carboxylate

ID: Reference9976

Other Names: 7-Benzoxazolecarboxylic acid, 2-[(3S)-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-, methyl ester;
NAT31-473161

Formula: C18H22N2O4

Spectral Data

Methyl 2-[(3S)-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-1,3-benzoxazole-7-carboxylate 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 1708
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/8/2020 9:40:57 AM
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Identificators

InChI InChI=1S/C18H22N2O4/c1-22-18(21)14-3-2-4-15-16(14)24-17(19-15)12-5-8-20(11-12)13-6-9-23-10-7-13/h2-4,12-13H,5-11H2,1H3/t12-/m0/s1
InChI Key NNXCFFFIHGGUKK-LBPRGKRZSA-N
Canonical SMILES COC(=O)C1=C2C(=CC=C1)N=C(O2)C3CCN(C3)C4CCOCC4
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Other Names 7-Benzoxazolecarboxylic acid, 2-[(3S)-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-, methyl ester;
NAT31-473161

In Other Databases

ChemSpider 29850858
PubChem 45784357