SpectraBase Compound ID | CLWnfADJe8K |
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InChI | InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3 |
InChIKey | ZSJUABCTGCNBPF-UHFFFAOYSA-N |
Mol Weight | 114.19 g/mol |
Molecular Formula | C7H14O |
Exact Mass | 114.104465 g/mol |
SpectraBase Spectrum ID | 5RDwQP0UtJe |
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Name | Hexanal, 3-methyl- |
CAS Registry Number | 19269-28-4 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C7H14O |
InChI | InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3 |
InChIKey | ZSJUABCTGCNBPF-UHFFFAOYSA-N |
Molecular Weight | 114.188 g/mol |
SMILES | C(=O)CC(CCC)C |
SPLASH | splash10-006x-9000000000-cc0406cd4d19d48ba434 |
Source of Spectrum | W5-1989-50813-14723 |
Synonyms | 3-Methylhexanal 3-Methyl hexanal |
Wiley ID | 1124599 |