| SpectraBase Compound ID | 2rFEJ1bmf3N |
|---|---|
| InChI | InChI=1S/C8H12/c1-4-6-7-8(3)5-2/h4-8H,1-2H2,3H3/b7-6+ |
| InChIKey | NDRUXLROLQGDNL-VOTSOKGWSA-N |
| Mol Weight | 108.18 g/mol |
| Molecular Formula | C8H12 |
| Exact Mass | 108.0939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9z6rhLWnPe |
|---|---|
| Name | 1,3,6-HEPTATRIENE, 5-METHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H12 |
| InChI | InChI=1S/C8H12/c1-4-6-7-8(3)5-2/h4-8H,1-2H2,3H3/b7-6+ |
| InChIKey | NDRUXLROLQGDNL-VOTSOKGWSA-N |
| Instrument Name | CH5 |
| Molecular Weight | 108.0936 |
| SMILES | C=C\C=C\C(C=C)C |
| SPLASH | splash10-002f-9000000000-a86d8967db3452d749b3 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |