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2-Benzyl-3,3-dimethyl-2-phenylbutanoic acid

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2-Benzyl-3,3-dimethyl-2-phenylbutanoic acid
SpectraBase Compound ID 517HVGg8n4u
InChI InChI=1S/C19H22O2/c1-18(2,3)19(17(20)21,16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H,20,21)
InChIKey YCNVSPNIWWQMCJ-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C19H22O2
Exact Mass 282.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ElCTpo8dmJM
Name 2-Benzyl-3,3-dimethyl-2-phenylbutanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.161979946 u
Formula C19H22O2
InChI InChI=1S/C19H22O2/c1-18(2,3)19(17(20)21,16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H,20,21)
InChIKey YCNVSPNIWWQMCJ-UHFFFAOYSA-N
SMILES C(C(=O)O)(C(C)(C)C)(CC=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821063