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

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Phthalic acid, monoamide, N,N-dicyclohexyl-, pentyl ester
SpectraBase Compound ID 9Hf2E6ZCsx7
InChI InChI=1S/C25H37NO3/c1-2-3-12-19-29-25(28)23-18-11-10-17-22(23)24(27)26(20-13-6-4-7-14-20)21-15-8-5-9-16-21/h10-11,17-18,20-21H,2-9,12-16,19H2,1H3
InChIKey FUWZYLHHUSASMU-UHFFFAOYSA-N
Mol Weight 399.6 g/mol
Molecular Formula C25H37NO3
Exact Mass 399.277344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fz5cTY3GTf
Name Phthalic acid, monoamide, N,N-dicyclohexyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 399.277344052 u
Formula C25H37NO3
InChI InChI=1S/C25H37NO3/c1-2-3-12-19-29-25(28)23-18-11-10-17-22(23)24(27)26(20-13-6-4-7-14-20)21-15-8-5-9-16-21/h10-11,17-18,20-21H,2-9,12-16,19H2,1H3
InChIKey FUWZYLHHUSASMU-UHFFFAOYSA-N
Molecular Weight 399.575 g/mol
SMILES C(OC(C1=C(C=CC=C1)C(=O)N(C1CCCCC1)C1CCCCC1)=O)CCCC