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Phthalic acid, butyl 2H-octahydroquinazoline-1-methyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, butyl 2H-octahydroquinazoline-1-methyl ester
SpectraBase Compound ID 95AgRyG3M0d
InChI InChI=1S/C22H31NO4/c1-2-3-15-26-21(24)18-10-4-5-11-19(18)22(25)27-16-17-9-8-14-23-13-7-6-12-20(17)23/h4-5,10-11,17,20H,2-3,6-9,12-16H2,1H3
InChIKey LUHJEFOXHICEQL-UHFFFAOYSA-N
Mol Weight 373.49 g/mol
Molecular Formula C22H31NO4
Exact Mass 373.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KdNWzg8g6ST
Name Phthalic acid, butyl 2H-octahydroquinazoline-1-methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.225308478 u
Formula C22H31NO4
InChI InChI=1S/C22H31NO4/c1-2-3-15-26-21(24)18-10-4-5-11-19(18)22(25)27-16-17-9-8-14-23-13-7-6-12-20(17)23/h4-5,10-11,17,20H,2-3,6-9,12-16H2,1H3
InChIKey LUHJEFOXHICEQL-UHFFFAOYSA-N
Molecular Weight 373.493 g/mol
SMILES C1(=C(C=CC=C1)C(OCCCC)=O)C(OCC1C2N(CCCC2)CCC1)=O