Benzene-1,3-diol, 1-o-benzyl-2-[3-oxo-dodecanoyl]-

SpectraBase Compound ID	G3H03fNN46O
InChI	InChI=1S/C25H32O4/c1-2-3-4-5-6-7-11-15-21(26)18-23(28)25-22(27)16-12-17-24(25)29-19-20-13-9-8-10-14-20/h8-10,12-14,16-17,27H,2-7,11,15,18-19H2,1H3
InChIKey	ZFMCKLGVNGRBRK-UHFFFAOYSA-N Google Search
Mol Weight	396.5 g/mol
Molecular Formula	C25H32O4
Exact Mass	396.23006 g/mol

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SpectraBase Spectrum ID	pVgxGLEETd
Name	Benzene-1,3-diol, 1-o-benzyl-2-[3-oxo-dodecanoyl]-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	396.230059506 u
Formula	C25H32O4
InChI	InChI=1S/C25H32O4/c1-2-3-4-5-6-7-11-15-21(26)18-23(28)25-22(27)16-12-17-24(25)29-19-20-13-9-8-10-14-20/h8-10,12-14,16-17,27H,2-7,11,15,18-19H2,1H3
InChIKey	ZFMCKLGVNGRBRK-UHFFFAOYSA-N
Molecular Weight	396.527 g/mol
SMILES	C(CC(CCCCCCCCC)=O)(=O)C1=C(C=CC=C1OCC1=CC=CC=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.892709