| SpectraBase Compound ID | 6iqgqoOvpcH |
|---|---|
| InChI | InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h4-5,8H,1-2,6-7H2,3H3/i6D |
| InChIKey | WQUHWMVTUGCYAH-RAMDWTOOSA-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 | 1Bvu4DH4gm8 |
|---|---|
| Name | 5-Deutero-3-methyl-1,6-heptadiene |
| CAS Registry Number | 68701-57-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H13D |
| InChI | InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h4-5,8H,1-2,6-7H2,3H3/i6D |
| InChIKey | WQUHWMVTUGCYAH-RAMDWTOOSA-N |
| Molecular Weight | 111.206 g/mol |
| SMILES | C(=C)C(CC(C=C)[D])C |
| SPLASH | splash10-066u-9000000000-7c00ede82cce30d1b764 |
| Source of Spectrum | HE-1982-0-0 |
| Wiley ID | 1122605 |