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Etafenone-m @P730
SpectraBase Compound ID 6HgUQSy5z9y
InChI InChI=1S/C16H16O4/c1-20-16-9-7-11(10-15(16)19)6-8-14(18)12-4-2-3-5-13(12)17/h2-5,7,9-10,17,19H,6,8H2,1H3
InChIKey XEDHSMBJTTVRAU-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C16H16O4
Exact Mass 272.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7z2UcsrICHx
Name Etafenone-m @P730
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.104858991 u
Formula C16H16O4
InChI InChI=1S/C16H16O4/c1-20-16-9-7-11(10-15(16)19)6-8-14(18)12-4-2-3-5-13(12)17/h2-5,7,9-10,17,19H,6,8H2,1H3
InChIKey XEDHSMBJTTVRAU-UHFFFAOYSA-N
Molecular Weight 272.300 g/mol
SMILES C=1C=C(C(CCC2=CC=C(C(=C2)O)OC)=O)C(O)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850036