| SpectraBase Compound ID | G1wvkrx8Zu2 |
|---|---|
| InChI | InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8-/i1D,2D,3D2,4D2,5D2,6D2,7D,8D,9D,10D,11D2,12D2 |
| InChIKey | ZOLLIQAKMYWTBR-FYLJYXDESA-N |
| Mol Weight | 180.39 g/mol |
| Molecular Formula | C12D18 |
| Exact Mass | 180.253832 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9rXPr8DZ6gs |
|---|---|
| Name | 1,5,9-Cyclododecatriene, perdeutero- |
| CAS Registry Number | 60684-79-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12D18 |
| InChI | InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8-/i1D,2D,3D2,4D2,5D2,6D2,7D,8D,9D,10D,11D2,12D2 |
| InChIKey | ZOLLIQAKMYWTBR-FYLJYXDESA-N |
| Molecular Weight | 180.386 g/mol |
| SMILES | C1(\C([D])=C/(C(C(\C(=C/(C(C(\C(=C/(C1([D])[D])[D])[D])([D])[D])([D])[D])[D])[D])([D])[D])([D])[D])[D])([D])[D] |
| SPLASH | splash10-03di-9200000000-c80bcd8c113c3ea0bc37 |
| Source of Spectrum | HE-1982-0-0 |
| Wiley ID | 1159173 |