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1,2-Benzenediol, o-(acethoxyacetyl)-o'-(5-chlorovaleryl)-

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

1,2-Benzenediol, o-(acethoxyacetyl)-o'-(5-chlorovaleryl)-
SpectraBase Compound ID DugJ0PooSh
InChI InChI=1S/C15H17ClO6/c1-11(17)20-10-15(19)22-13-7-3-2-6-12(13)21-14(18)8-4-5-9-16/h2-3,6-7H,4-5,8-10H2,1H3
InChIKey MFIJQKQLVSTNDT-UHFFFAOYSA-N
Mol Weight 328.75 g/mol
Molecular Formula C15H17ClO6
Exact Mass 328.071366 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HOVqWg2kueV
Name 1,2-Benzenediol, o-(acethoxyacetyl)-o'-(5-chlorovaleryl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.071365961 u
Formula C15H17ClO6
InChI InChI=1S/C15H17ClO6/c1-11(17)20-10-15(19)22-13-7-3-2-6-12(13)21-14(18)8-4-5-9-16/h2-3,6-7H,4-5,8-10H2,1H3
InChIKey MFIJQKQLVSTNDT-UHFFFAOYSA-N
Molecular Weight 328.748 g/mol
SMILES C1(=CC=CC=C1OC(=O)CCCCCl)OC(COC(C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823588