| SpectraBase Compound ID | 8CWeEq4lJHN |
|---|---|
| InChI | InChI=1S/C13H16/c1-3-4-5-6-10-13-11-8-7-9-12(13)2/h7-9,11H,3-5H2,1-2H3 |
| InChIKey | KSOSFFUHWOHFEE-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C13H16 |
| Exact Mass | 172.125201 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BVeoB5LWEW6 |
|---|---|
| Name | 1-(2-Methylphenyl)hex-1-yne |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16 |
| InChI | InChI=1S/C13H16/c1-3-4-5-6-10-13-11-8-7-9-12(13)2/h7-9,11H,3-5H2,1-2H3 |
| InChIKey | KSOSFFUHWOHFEE-UHFFFAOYSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | C(#CCCCC)c1c(C)cccc1 |
| SPLASH | splash10-004l-0900000000-da58f62042cec113fbda |
| Source of Spectrum | F-66-7759-18 |
| Wiley ID | 1684526 |