| SpectraBase Compound ID | K2XCUBIYTxZ |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-3-5-6-8(4-2)7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11) |
| InChIKey | MCLMZMISZCYBBG-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FIS23qTrTxC |
|---|---|
| Name | 3-Ethylheptanoic acid |
| CAS Registry Number | 14272-47-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-3-5-6-8(4-2)7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11) |
| InChIKey | MCLMZMISZCYBBG-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | OC(=O)CC(CC)CCCC |
| SPLASH | splash10-0a4l-9000000000-41f07f0dc03b99bda012 |
| Source of Spectrum | NP-1-8769-0 |
| Wiley ID | 1099798 |