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Isonipecotic acid, N-(2-methoxybenzoyl)-, isohexyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-methoxybenzoyl)-, isohexyl ester
SpectraBase Compound ID 4kFrVIK0UR4
InChI InChI=1S/C20H29NO4/c1-15(2)7-6-14-25-20(23)16-10-12-21(13-11-16)19(22)17-8-4-5-9-18(17)24-3/h4-5,8-9,15-16H,6-7,10-14H2,1-3H3
InChIKey QFQSFEZRXUCJLP-UHFFFAOYSA-N
Mol Weight 347.46 g/mol
Molecular Formula C20H29NO4
Exact Mass 347.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G8L4mHXFTqN
Name Isonipecotic acid, N-(2-methoxybenzoyl)-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.209658414 u
Formula C20H29NO4
InChI InChI=1S/C20H29NO4/c1-15(2)7-6-14-25-20(23)16-10-12-21(13-11-16)19(22)17-8-4-5-9-18(17)24-3/h4-5,8-9,15-16H,6-7,10-14H2,1-3H3
InChIKey QFQSFEZRXUCJLP-UHFFFAOYSA-N
Molecular Weight 347.455 g/mol
SMILES COC1=C(C=CC=C1)C(N1CCC(C(OCCCC(C)C)=O)CC1)=O