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1-(N-4'-Methoxybenzyl)azacycloheptadec-12-yne-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-(N-4'-Methoxybenzyl)azacycloheptadec-12-yne-2-one
SpectraBase Compound ID 3X4rcyUl7AC
InChI InChI=1S/C24H35NO2/c1-27-23-18-16-22(17-19-23)21-25-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-24(25)26/h16-19H,2-5,7,9-15,20-21H2,1H3
InChIKey YCWYVSSUWQYNGJ-UHFFFAOYSA-N
Mol Weight 369.5 g/mol
Molecular Formula C24H35NO2
Exact Mass 369.266779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2zDsJ5vkCBb
Name 1-(N-4'-Methoxybenzyl)azacycloheptadec-12-yne-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.266779369 u
Formula C24H35NO2
InChI InChI=1S/C24H35NO2/c1-27-23-18-16-22(17-19-23)21-25-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-24(25)26/h16-19H,2-5,7,9-15,20-21H2,1H3
InChIKey YCWYVSSUWQYNGJ-UHFFFAOYSA-N
Molecular Weight 369.549 g/mol
SMILES C1(N(CCCCC#CCCCCCCCCC1)CC1=CC=C(C=C1)OC)=O