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Glutaric acid, 3-methylbut-2-yl 2-isopropylphenyl ester
SpectraBase Compound ID DOUExSSZuMo
InChI InChI=1S/C19H28O4/c1-13(2)15(5)22-18(20)11-8-12-19(21)23-17-10-7-6-9-16(17)14(3)4/h6-7,9-10,13-15H,8,11-12H2,1-5H3
InChIKey ZRXZLJHDDTZFME-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SbhwsttJe6
Name Glutaric acid, 3-methylbut-2-yl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.198759378 u
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-13(2)15(5)22-18(20)11-8-12-19(21)23-17-10-7-6-9-16(17)14(3)4/h6-7,9-10,13-15H,8,11-12H2,1-5H3
InChIKey ZRXZLJHDDTZFME-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C(CCC(OC(C(C)C)C)=O)C(OC=1C(C(C)C)=CC=CC1)=O