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Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, isohexyl ester

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Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, isohexyl ester
SpectraBase Compound ID HuqEuGgZEAp
InChI InChI=1S/C21H31NO3/c1-16(2)8-7-15-25-21(24)14-6-13-20(23)22-19-12-5-10-17-9-3-4-11-18(17)19/h3-4,9,11,16,19H,5-8,10,12-15H2,1-2H3,(H,22,23)
InChIKey DGQLDOQQVXWQJM-UHFFFAOYSA-N
Mol Weight 345.48 g/mol
Molecular Formula C21H31NO3
Exact Mass 345.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2P8OWOFAQVV
Name Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.230393859 u
Formula C21H31NO3
InChI InChI=1S/C21H31NO3/c1-16(2)8-7-15-25-21(24)14-6-13-20(23)22-19-12-5-10-17-9-3-4-11-18(17)19/h3-4,9,11,16,19H,5-8,10,12-15H2,1-2H3,(H,22,23)
InChIKey DGQLDOQQVXWQJM-UHFFFAOYSA-N
Molecular Weight 345.483 g/mol
SMILES CC(C)CCCOC(CCCC(NC1C2=C(CCC1)C=CC=C2)=O)=O