| SpectraBase Compound ID | noKLon7ixm |
|---|---|
| InChI | InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h4-6,8H,2,7H2,1,3H3/b6-4+/i1D |
| InChIKey | QIWJMWAOAINRPL-FPPJIGRNSA-N |
| Mol Weight | 111.21 g/mol |
| Molecular Formula | C8H13D |
| Exact Mass | 111.115827 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3KH729JyGR2 |
|---|---|
| Name | 1,5-Heptadiene, 7-deutero-3-methyl- |
| CAS Registry Number | 68701-59-7 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H13D |
| InChI | InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h4-6,8H,2,7H2,1,3H3/b6-4+/i1D |
| InChIKey | QIWJMWAOAINRPL-FPPJIGRNSA-N |
| Molecular Weight | 111.206 g/mol |
| SMILES | CC(C=C)C\C=C\C[D] |
| SPLASH | splash10-0a4i-9000000000-01471026bd3cef3a0f5b |
| Source of Spectrum | HE-1982-0-0 |
| Wiley ID | 1122606 |