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1,3-Benzenediol, o,o'-divaleryl-

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

1,3-Benzenediol, o,o'-divaleryl-
SpectraBase Compound ID 9D0E3UdynFn
InChI InChI=1S/C16H22O4/c1-3-5-10-15(17)19-13-8-7-9-14(12-13)20-16(18)11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3
InChIKey DNUFITILCDUKED-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID INuBfPXkjwd
Name 1,3-Benzenediol, o,o'-divaleryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.151809184 u
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-3-5-10-15(17)19-13-8-7-9-14(12-13)20-16(18)11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3
InChIKey DNUFITILCDUKED-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES C1(=CC(=CC=C1)OC(CCCC)=O)OC(=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937484