| SpectraBase Compound ID | 4FmFXFT0nb6 |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3 |
| InChIKey | OMVSWZDEEGIJJI-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4keD1Hwr2ax |
|---|---|
| Name | 3-(Isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl 2-methylpropanoate |
| Alternate Name(s) | 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate (ester) 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 2,2,4-Trimethyl-1,3-pentanediol ester 2,2,4-Trimethylpentanediol-1,3-diisobutyrate 2-Methylpropionic acid (3-isobutyryloxy-2,2,4-trimethyl-pentyl) ester Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester Kodaflex txib Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester TXIB 2-Methylpropanoic acid [2,2,4-trimethyl-3-(2-methyl-1-oxopropoxy)pentyl] ester BRN 1878083 EINECS 229-934-9 |
| CAS Registry Number | 6846-50-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3 |
| InChIKey | OMVSWZDEEGIJJI-UHFFFAOYSA-N |
| Molecular Weight | 286.412 g/mol |
| SMILES | CC(C)C(=O)OC(C(C)C)C(C)(C)COC(=O)C(C)C |
| SPLASH | splash10-00dl-9000000000-01b54363b2afe7346c48 |
| Source of Spectrum | Va-0-0-0 |
| Wiley ID | 741553 |