| SpectraBase Compound ID | 2cNZw7wQrQu |
|---|---|
| InChI | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+ |
| InChIKey | NDFKTBCGKNOHPJ-AATRIKPKSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9QqqOf2kCOu |
|---|---|
| Name | 2-HEPTENAL, (E)- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+ |
| InChIKey | NDFKTBCGKNOHPJ-AATRIKPKSA-N |
| Molecular Weight | 112.0885 |
| SMILES | C(CC)C\C=C\C=O |
| SPLASH | splash10-052f-9000000000-373e6ccc287fb8b23786 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |