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1,3-Propanediol bis(4-aminobenzoate)

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

1,3-Propanediol bis(4-aminobenzoate)
SpectraBase Compound ID FlVZC4HDTMP
InChI InChI=1S/C17H18N2O4/c18-14-6-2-12(3-7-14)16(20)22-10-1-11-23-17(21)13-4-8-15(19)9-5-13/h2-9H,1,10-11,18-19H2
InChIKey YPACMOORZSDQDQ-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C17H18N2O4
Exact Mass 314.126657 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9reOPiwTbbe
Name 1,3-Propanediol bis(4-aminobenzoate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.126657064 u
Formula C17H18N2O4
InChI InChI=1S/C17H18N2O4/c18-14-6-2-12(3-7-14)16(20)22-10-1-11-23-17(21)13-4-8-15(19)9-5-13/h2-9H,1,10-11,18-19H2
InChIKey YPACMOORZSDQDQ-UHFFFAOYSA-N
Molecular Weight 314.341 g/mol
SMILES C1(N)=CC=C(C(=O)OCCCOC(C2=CC=C(C=C2)N)=O)C=C1
Spectrum/Structure Validation Score (Raman) 0.982486