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1,3-Benzenediol, o,o'-di(isobutyryl)-

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

1,3-Benzenediol, o,o'-di(isobutyryl)-
SpectraBase Compound ID CCdXDvLD1wt
InChI InChI=1S/C14H18O4/c1-9(2)13(15)17-11-6-5-7-12(8-11)18-14(16)10(3)4/h5-10H,1-4H3
InChIKey GPTVUGMUZXFANY-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I5lh8BJp90Z
Name 1,3-Benzenediol, o,o'-di(isobutyryl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.120509056 u
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-9(2)13(15)17-11-6-5-7-12(8-11)18-14(16)10(3)4/h5-10H,1-4H3
InChIKey GPTVUGMUZXFANY-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES C1=C(C=CC=C1OC(C(C)C)=O)OC(C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827313