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1,1-Ethanediol, 2-phenyl-, diacetate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1,1-Ethanediol, 2-phenyl-, diacetate
SpectraBase Compound ID C6bYYATye69
InChI InChI=1S/C12H14O4/c1-9(13)15-12(16-10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3
InChIKey OOKJPCMVVRIOSO-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EmypSFNjt8y
Name 1,1-Ethanediol, 2-phenyl-, diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.089208927 u
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-9(13)15-12(16-10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3
InChIKey OOKJPCMVVRIOSO-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C(OC(=O)C)(OC(=O)C)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926733