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Carbonic acid, monoamide, N-benzyl-N-(2-ethylhexyl)-, but-2-yn-1-yl ester

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Carbonic acid, monoamide, N-benzyl-N-(2-ethylhexyl)-, but-2-yn-1-yl ester
SpectraBase Compound ID 19zIoAALDKM
InChI InChI=1S/C20H29NO2/c1-4-7-12-18(6-3)16-21(20(22)23-15-8-5-2)17-19-13-10-9-11-14-19/h9-11,13-14,18H,4,6-7,12,15-17H2,1-3H3
InChIKey JOQQXMKZNSGDHX-UHFFFAOYSA-N
Mol Weight 315.46 g/mol
Molecular Formula C20H29NO2
Exact Mass 315.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F7GiL5X9Mva
Name Carbonic acid, monoamide, N-benzyl-N-(2-ethylhexyl)-, but-2-yn-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.219829176 u
Formula C20H29NO2
InChI InChI=1S/C20H29NO2/c1-4-7-12-18(6-3)16-21(20(22)23-15-8-5-2)17-19-13-10-9-11-14-19/h9-11,13-14,18H,4,6-7,12,15-17H2,1-3H3
InChIKey JOQQXMKZNSGDHX-UHFFFAOYSA-N
Molecular Weight 315.457 g/mol
SMILES C(OC(=O)N(CC(CCCC)CC)CC1=CC=CC=C1)C#CC