| SpectraBase Compound ID | 5gbSzuclGYw |
|---|---|
| InChI | InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h8H,4-5H2,1-3H3 |
| InChIKey | UCTGGLKZKKZBNO-UHFFFAOYSA-N |
| Mol Weight | 110.2 g/mol |
| Molecular Formula | C8H14 |
| Exact Mass | 110.10955 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FTXR8YPoh9E |
|---|---|
| Name | 3-Heptyne, 5-methyl- |
| Alternate Name(s) | 5-Methyl-3-heptyne 5-Methylhept-3-yne |
| CAS Registry Number | 61228-09-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H14 |
| InChI | InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h8H,4-5H2,1-3H3 |
| InChIKey | UCTGGLKZKKZBNO-UHFFFAOYSA-N |
| Molecular Weight | 110.200 g/mol |
| SMILES | C(C(CC)C)#CCC |
| SPLASH | splash10-001i-9100000000-ff948ba41a1958ea0947 |
| Source of Spectrum | C-98-8419-0 |
| Wiley ID | 1122585 |