| SpectraBase Compound ID | 8x94qRSoZeg |
|---|---|
| InChI | InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h1,6-8H,5H2,2-3H3 |
| InChIKey | NTNUBJHPRAMQPC-UHFFFAOYSA-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 | 5ofPjWCPpmN |
|---|---|
| Name | 5-Methyl-1-hexyn-3-ol |
| Alternate Name(s) | 5-Methylhex-1-yn-3-ol |
| CAS Registry Number | 61996-79-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h1,6-8H,5H2,2-3H3 |
| InChIKey | NTNUBJHPRAMQPC-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | OC(CC(C)C)C#C |
| SPLASH | splash10-0a6u-9000000000-a0f0eb182d52b0f41048 |
| Source of Spectrum | NP-0-3555-0 |
| Wiley ID | 1095426 |