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Benzeneacetic acid, .alpha.-oxo-, tetrahydro-4,4,5,5-tetramethyl-2-oxo-3-phenyl-3-furanyl ester, (.+-.)-
SpectraBase Compound ID 9q8eRPP3VnR
InChI InChI=1S/C22H22O5/c1-20(2)21(3,4)27-19(25)22(20,16-13-9-6-10-14-16)26-18(24)17(23)15-11-7-5-8-12-15/h5-14H,1-4H3
InChIKey GBJXXSCZYWWXQF-UHFFFAOYSA-N
Mol Weight 366.41 g/mol
Molecular Formula C22H22O5
Exact Mass 366.146724 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2kmZB3yFMsj
Name Benzeneacetic acid, .alpha.-oxo-, tetrahydro-4,4,5,5-tetramethyl-2-oxo-3-phenyl-3-furanyl ester, (.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.146723803 u
Formula C22H22O5
InChI InChI=1S/C22H22O5/c1-20(2)21(3,4)27-19(25)22(20,16-13-9-6-10-14-16)26-18(24)17(23)15-11-7-5-8-12-15/h5-14H,1-4H3
InChIKey GBJXXSCZYWWXQF-UHFFFAOYSA-N
Molecular Weight 366.413 g/mol
SMILES C1(C(OC(C1(C)C)(C)C)=O)(OC(C(=O)C=1C=CC=CC1)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94824