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Carbonic acid, 4-isopropylphenyl neopentyl ester

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Carbonic acid, 4-isopropylphenyl neopentyl ester
SpectraBase Compound ID 2iIZ0ptp8ki
InChI InChI=1S/C15H22O3/c1-11(2)12-6-8-13(9-7-12)18-14(16)17-10-15(3,4)5/h6-9,11H,10H2,1-5H3
InChIKey RYJOSEJWOUTXJD-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J5NQRKsi1U2
Name Carbonic acid, 4-isopropylphenyl neopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.156894565 u
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-11(2)12-6-8-13(9-7-12)18-14(16)17-10-15(3,4)5/h6-9,11H,10H2,1-5H3
InChIKey RYJOSEJWOUTXJD-UHFFFAOYSA-N
Molecular Weight 250.338 g/mol
SMILES CC(C)C1=CC=C(OC(OCC(C)(C)C)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954711