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.beta.-Alanine, N-(3-methoxybenzoyl)-, hexyl ester
SpectraBase Compound ID 1fC0zZzPR5J
InChI InChI=1S/C17H25NO4/c1-3-4-5-6-12-22-16(19)10-11-18-17(20)14-8-7-9-15(13-14)21-2/h7-9,13H,3-6,10-12H2,1-2H3,(H,18,20)
InChIKey ICBQEPSZEMDQMZ-UHFFFAOYSA-N
Mol Weight 307.39 g/mol
Molecular Formula C17H25NO4
Exact Mass 307.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HghA6D1ZWBA
Name .beta.-Alanine, N-(3-methoxybenzoyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 307.178358285 u
Formula C17H25NO4
InChI InChI=1S/C17H25NO4/c1-3-4-5-6-12-22-16(19)10-11-18-17(20)14-8-7-9-15(13-14)21-2/h7-9,13H,3-6,10-12H2,1-2H3,(H,18,20)
InChIKey ICBQEPSZEMDQMZ-UHFFFAOYSA-N
Molecular Weight 307.390 g/mol
SMILES C1=C(C=CC=C1C(NCCC(OCCCCCC)=O)=O)OC