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Butyric acid, 2-phenyl-, naphth-2-ylmethyl ester
SpectraBase Compound ID CB4Su7MHzQI
InChI InChI=1S/C21H20O2/c1-2-20(18-9-4-3-5-10-18)21(22)23-15-16-12-13-17-8-6-7-11-19(17)14-16/h3-14,20H,2,15H2,1H3
InChIKey REMBVPSKNNWYIO-UHFFFAOYSA-N
Mol Weight 304.39 g/mol
Molecular Formula C21H20O2
Exact Mass 304.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3iVVtZTPl82
Name Butyric acid, 2-phenyl-, naphth-2-ylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.146329882 u
Formula C21H20O2
InChI InChI=1S/C21H20O2/c1-2-20(18-9-4-3-5-10-18)21(22)23-15-16-12-13-17-8-6-7-11-19(17)14-16/h3-14,20H,2,15H2,1H3
InChIKey REMBVPSKNNWYIO-UHFFFAOYSA-N
Molecular Weight 304.389 g/mol
SMILES C(C(C(OCC1=CC2=C(C=CC=C2)C=C1)=O)C1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879203