| SpectraBase Compound ID | 6dn4l1Z0Pc8 |
|---|---|
| InChI | InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5H2,1H3 |
| InChIKey | MDKGOJZZRHBMQU-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 | 3xxCFoDviux |
|---|---|
| Name | BENZENE, 1-HEPTYNYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H16 |
| InChI | InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5H2,1H3 |
| InChIKey | MDKGOJZZRHBMQU-UHFFFAOYSA-N |
| Instrument Name | 311A |
| Molecular Weight | 172.1248 |
| SMILES | C(CCCC)C#Cc1ccccc1 |
| SPLASH | splash10-016r-3900000000-176a966e9bab6c17b6b7 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |