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1,5-Pentanediol dibenzoate

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

1,5-Pentanediol dibenzoate
SpectraBase Compound ID J2YwDORXsOR
InChI InChI=1S/C19H20O4/c20-18(16-10-4-1-5-11-16)22-14-8-3-9-15-23-19(21)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKey UMNVFYKZOXQOLL-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C19H20O4
Exact Mass 312.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GGU0kPTxvZl
Name 1,5-Pentanediol dibenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.136159120 u
Formula C19H20O4
InChI InChI=1S/C19H20O4/c20-18(16-10-4-1-5-11-16)22-14-8-3-9-15-23-19(21)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKey UMNVFYKZOXQOLL-UHFFFAOYSA-N
Molecular Weight 312.365 g/mol
SMILES C(OCCCCCOC(=O)C=1C=CC=CC1)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919969