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Phthalic acid, monoamide, N,N-dicyclohexyl-, heptyl ester

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Phthalic acid, monoamide, N,N-dicyclohexyl-, heptyl ester
SpectraBase Compound ID 2mPHMMZLKz1
InChI InChI=1S/C27H41NO3/c1-2-3-4-5-14-21-31-27(30)25-20-13-12-19-24(25)26(29)28(22-15-8-6-9-16-22)23-17-10-7-11-18-23/h12-13,19-20,22-23H,2-11,14-18,21H2,1H3
InChIKey KBFWHBIVTZWIBL-UHFFFAOYSA-N
Mol Weight 427.6 g/mol
Molecular Formula C27H41NO3
Exact Mass 427.308644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPvI7M6KcHb
Name Phthalic acid, monoamide, N,N-dicyclohexyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.308644181 u
Formula C27H41NO3
InChI InChI=1S/C27H41NO3/c1-2-3-4-5-14-21-31-27(30)25-20-13-12-19-24(25)26(29)28(22-15-8-6-9-16-22)23-17-10-7-11-18-23/h12-13,19-20,22-23H,2-11,14-18,21H2,1H3
InChIKey KBFWHBIVTZWIBL-UHFFFAOYSA-N
Molecular Weight 427.629 g/mol
SMILES C(C1=C(C=CC=C1)C(=O)N(C1CCCCC1)C1CCCCC1)(OCCCCCCC)=O