| SpectraBase Compound ID | GsYPLH5hEol |
|---|---|
| InChI | InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3/i5D2,6D2 |
| InChIKey | HCFAJYNVAYBARA-NZLXMSDQSA-N |
| Mol Weight | 118.21 g/mol |
| Molecular Formula | C7H10D4O |
| Exact Mass | 118.129572 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 13JgkLyQnM8 |
|---|---|
| Name | 4-Heptanone-3,3,5,5-D4 |
| CAS Registry Number | 13072-59-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H10D4O |
| InChI | InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3/i5D2,6D2 |
| InChIKey | HCFAJYNVAYBARA-NZLXMSDQSA-N |
| Molecular Weight | 118.212 g/mol |
| SMILES | C(=O)(C(CC)([D])[D])C(CC)([D])[D] |
| SPLASH | splash10-006t-9000000000-d2bb47e67307ed0972d8 |
| Source of Spectrum | A-2-361-1 |
| Wiley ID | 1124886 |