| SpectraBase Compound ID | H31quK3rMAI |
|---|---|
| InChI | InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3 |
| InChIKey | YVXHZKKCZYLQOP-UHFFFAOYSA-N |
| Mol Weight | 96.17 g/mol |
| Molecular Formula | C7H12 |
| Exact Mass | 96.0939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HeB5hCm7QQ7 |
|---|---|
| Name | 1-Heptyne |
| CAS Registry Number | 628-71-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12 |
| InChI | InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3 |
| InChIKey | YVXHZKKCZYLQOP-UHFFFAOYSA-N |
| Molecular Weight | 96.173 g/mol |
| SMILES | CCCCCC#C |
| SPLASH | splash10-05o3-9000000000-aeade99913bae3a495a4 |
| Source of Spectrum | O-21-718-1 |
| Synonyms | Amyl acetylene HEPT-1-YNE N-C5H11C.$.CH EINECS 211-051-5 NSC 9710 |
| Wiley ID | 1118223 |