| 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 | 2Pg0KFLOqXK |
|---|---|
| Name | (3E)-5-Methyl-1,3,6-heptatriene |
| CAS Registry Number | 818-48-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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 |
| Molecular Weight | 108.184 g/mol |
| SMILES | C=C\C=C\C(C)C=C |
| SPLASH | splash10-002f-9000000000-f8c5d5f222783e82d3e7 |
| Source of Spectrum | W5-1768-0-0 |
| Synonyms | 1,3,6-Heptatriene, 5-methyl-, (E)- (3E)-5-methylhepta-1,3,6-triene 1,3,6-Heptatriene, 5-methyl- 1,3,6-Heptatriene, 5-methyl-, trans- 3-Methyl-trans-1,4,6-heptatriene 5-Methyl-1,3,6-heptatriene CH2=CHCH=CHCH(CH3)CH=CH2 |
| Wiley ID | 1121915 |