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N-(pyridin-4-ylmethyl)-N-(2-(pyrrolidin-1-ylsulfonyl)ethyl)acetamide oxalate

View entire compound with spectra: 2 NMR

N-(pyridin-4-ylmethyl)-N-(2-(pyrrolidin-1-ylsulfonyl)ethyl)acetamide oxalate
SpectraBase Compound ID 622XsLw0ueO
InChI InChI=1S/C14H21N3O3S.C2H2O4/c1-13(18)16(12-14-4-6-15-7-5-14)10-11-21(19,20)17-8-2-3-9-17;3-1(4)2(5)6/h4-7H,2-3,8-12H2,1H3;(H,3,4)(H,5,6)
InChIKey FBCUWBVBIXINSP-UHFFFAOYSA-N
Mol Weight 401.43 g/mol
Molecular Formula C16H23N3O7S
Exact Mass 401.125671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8JsheO8DjnC
Name N-(Pyridin-4-ylmethyl)-N-(2-(pyrrolidin-1-ylsulfonyl)ethyl)acetamide oxalate
Comments Computed using HOSE algorithm
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Exact Mass 401.125671260 u
Formula C16H23N3O7S
InChI InChI=1S/C14H21N3O3S.C2H2O4/c1-13(18)16(12-14-4-6-15-7-5-14)10-11-21(19,20)17-8-2-3-9-17;3-1(4)2(5)6/h4-7H,2-3,8-12H2,1H3;(H,3,4)(H,5,6)
InChIKey FBCUWBVBIXINSP-UHFFFAOYSA-N
SMILES C(CN(CC1=CC=NC=C1)C(=O)C)S(=O)(=O)N1CCCC1.OC(C(=O)O)=O