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Phthalic acid, monoamide, N,N-dibutyl-, hexyl ester

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Phthalic acid, monoamide, N,N-dibutyl-, hexyl ester
SpectraBase Compound ID 6LqZUQkUwRS
InChI InChI=1S/C22H35NO3/c1-4-7-10-13-18-26-22(25)20-15-12-11-14-19(20)21(24)23(16-8-5-2)17-9-6-3/h11-12,14-15H,4-10,13,16-18H2,1-3H3
InChIKey PBXWGCMJGHUCRU-UHFFFAOYSA-N
Mol Weight 361.5 g/mol
Molecular Formula C22H35NO3
Exact Mass 361.261694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1VMacoTijCR
Name Phthalic acid, monoamide, N,N-dibutyl-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.261693988 u
Formula C22H35NO3
InChI InChI=1S/C22H35NO3/c1-4-7-10-13-18-26-22(25)20-15-12-11-14-19(20)21(24)23(16-8-5-2)17-9-6-3/h11-12,14-15H,4-10,13,16-18H2,1-3H3
InChIKey PBXWGCMJGHUCRU-UHFFFAOYSA-N
Molecular Weight 361.526 g/mol
SMILES C(C1=C(C=CC=C1)C(=O)OCCCCCC)(N(CCCC)CCCC)=O