| SpectraBase Compound ID | AW8MpLQWP0g |
|---|---|
| InChI | InChI=1S/C12H22O3/c1-3-4-5-6-7-8-12-14-10(2)9-11(13)15-12/h10,12H,3-9H2,1-2H3 |
| InChIKey | CQFQJBVIUHQQMR-UHFFFAOYSA-N |
| Mol Weight | 214.3 g/mol |
| Molecular Formula | C12H22O3 |
| Exact Mass | 214.156895 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GENWoEFOa75 |
|---|---|
| Name | 1,3-Dioxan-4-one, 2-heptyl-6-methyl |
| CAS Registry Number | 99902-24-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H22O3 |
| InChI | InChI=1S/C12H22O3/c1-3-4-5-6-7-8-12-14-10(2)9-11(13)15-12/h10,12H,3-9H2,1-2H3 |
| InChIKey | CQFQJBVIUHQQMR-UHFFFAOYSA-N |
| Molecular Weight | 214.305 g/mol |
| SMILES | C1(OC(C)CC(=O)O1)CCCCCCC |
| SPLASH | splash10-014i-9200000000-f4eb88d4bcdf0a43a587 |
| Synonyms | 2-Heptyl-6-methyl-1,3-dioxan-4-one |
| Wiley ID | 1479241 |