| SpectraBase Compound ID | 5PcdDlfmSCa |
|---|---|
| InChI | InChI=1S/C7H12/c1-4-5-6-7(2)3/h1,7H,5-6H2,2-3H3 |
| InChIKey | HKNANEMUCJGPMS-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 | KFO407b2jMS |
|---|---|
| Name | 1-Hexyne, 5-methyl- |
| CAS Registry Number | 2203-80-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12 |
| InChI | InChI=1S/C7H12/c1-4-5-6-7(2)3/h1,7H,5-6H2,2-3H3 |
| InChIKey | HKNANEMUCJGPMS-UHFFFAOYSA-N |
| Molecular Weight | 96.173 g/mol |
| SMILES | C(#C)CCC(C)C |
| SPLASH | splash10-0002-9000000000-085047e65a6ccfa9f292 |
| Source of Spectrum | F9-1989-582-0 |
| Synonyms | (CH3)2CH(CH2)2C.$.CH 5-Methyl-1-hexyne 5-Methylhex-1-yne |
| Wiley ID | 1566040 |