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Isophthalic acid, monoamide, N,N-diisobutyl-, undecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Isophthalic acid, monoamide, N,N-diisobutyl-, undecyl ester
SpectraBase Compound ID HDJ0ZTxtzEd
InChI InChI=1S/C27H45NO3/c1-6-7-8-9-10-11-12-13-14-18-31-27(30)25-17-15-16-24(19-25)26(29)28(20-22(2)3)21-23(4)5/h15-17,19,22-23H,6-14,18,20-21H2,1-5H3
InChIKey PCCHTTQOJLEPNS-UHFFFAOYSA-N
Mol Weight 431.7 g/mol
Molecular Formula C27H45NO3
Exact Mass 431.339944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1xgqYvNb7a
Name Isophthalic acid, monoamide, N,N-diisobutyl-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.339944310 u
Formula C27H45NO3
InChI InChI=1S/C27H45NO3/c1-6-7-8-9-10-11-12-13-14-18-31-27(30)25-17-15-16-24(19-25)26(29)28(20-22(2)3)21-23(4)5/h15-17,19,22-23H,6-14,18,20-21H2,1-5H3
InChIKey PCCHTTQOJLEPNS-UHFFFAOYSA-N
Molecular Weight 431.661 g/mol
SMILES C(N(C(C1=CC(=CC=C1)C(OCCCCCCCCCCC)=O)=O)CC(C)C)C(C)C