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Phthalic acid, neopentyl 2-propyl ester

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Phthalic acid, neopentyl 2-propyl ester
SpectraBase Compound ID KrZSd0IZWQa
InChI InChI=1S/C16H22O4/c1-11(2)20-15(18)13-9-7-6-8-12(13)14(17)19-10-16(3,4)5/h6-9,11H,10H2,1-5H3
InChIKey GVLMZLODUOEBOE-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JK4YmyuyUdN
Name Phthalic acid, neopentyl 2-propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.151809184 u
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-11(2)20-15(18)13-9-7-6-8-12(13)14(17)19-10-16(3,4)5/h6-9,11H,10H2,1-5H3
InChIKey GVLMZLODUOEBOE-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES C1(=C(C=CC=C1)C(OC(C)C)=O)C(OCC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928901