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 |
SpectraBase Spectrum ID | 1SbhwsttJe6 |
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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 |