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3-(Heptyloxy)-1,2-propanediol, dicarbanilate

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(Heptyloxy)-1,2-propanediol, dicarbanilate
SpectraBase Compound ID 2466TrT93Jv
InChI InChI=1S/C24H32N2O5/c1-2-3-4-5-12-17-29-18-22(31-24(28)26-21-15-10-7-11-16-21)19-30-23(27)25-20-13-8-6-9-14-20/h6-11,13-16,22H,2-5,12,17-19H2,1H3,(H,25,27)(H,26,28)
InChIKey PLYJJMYTNPZZER-UHFFFAOYSA-N
Mol Weight 428.5 g/mol
Molecular Formula C24H32N2O5
Exact Mass 428.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrlP3V3yhg3
Name 3-(Heptyloxy)-1,2-propanediol, dicarbanilate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.231122133 u
Formula C24H32N2O5
InChI InChI=1S/C24H32N2O5/c1-2-3-4-5-12-17-29-18-22(31-24(28)26-21-15-10-7-11-16-21)19-30-23(27)25-20-13-8-6-9-14-20/h6-11,13-16,22H,2-5,12,17-19H2,1H3,(H,25,27)(H,26,28)
InChIKey PLYJJMYTNPZZER-UHFFFAOYSA-N
Molecular Weight 428.529 g/mol
SMILES N(C1=CC=CC=C1)C(OC(COC(NC=1C=CC=CC1)=O)COCCCCCCC)=O