| SpectraBase Compound ID | KD046ePHDm2 |
|---|---|
| InChI | InChI=1S/C7H12O2/c8-6-4-2-1-3-5-7-9/h6-7H,1-5H2 |
| InChIKey | OOLBRPUFHUSCOS-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CGKwpMwKCM6 |
|---|---|
| Name | Heptanedial |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c8-6-4-2-1-3-5-7-9/h6-7H,1-5H2 |
| InChIKey | OOLBRPUFHUSCOS-UHFFFAOYSA-N |
| Molecular Weight | 128.171 g/mol |
| SMILES | C(=O)CCCCCC=O |
| SPLASH | splash10-0a4i-9000000000-53c63afc65c1782f360c |
| Source of Spectrum | D1-2001-790-8 |
| Synonyms | Pimelaldehyde |
| Wiley ID | 835591 |