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(5S)-2,2-dimethyl-5-(phenylmethyl)-1,3-dioxolan-4-one

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(5S)-2,2-dimethyl-5-(phenylmethyl)-1,3-dioxolan-4-one
SpectraBase Compound ID BIOFfPGapJy
InChI InChI=1S/C12H14O3/c1-12(2)14-10(11(13)15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKey QLNFEMZFWFIBGL-JTQLQIEISA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 78kCiW0kCpE
Name (5S)-2,2-Dimethyl-5-(phenylmethyl)-1,3-dioxolan-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.094294308 u
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-12(2)14-10(11(13)15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKey QLNFEMZFWFIBGL-JTQLQIEISA-N
Molecular Weight 206.241 g/mol
SMILES C1(OC(O[C@]1(CC=1C=CC=CC1)[H])(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98256