| SpectraBase Compound ID | JnPETChnMkg |
|---|---|
| InChI | InChI=1S/C30H52/c1-20(2)21-12-16-27(5)18-19-29(7)22(25(21)27)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h20-25H,9-19H2,1-8H3/t21-,22-,23-,24+,25-,27+,28-,29+,30+/m0/s1/i9D,14D/t9?,14?,21-,22-,23-,24+,25-,27+,28-,29+,30+ |
| InChIKey | NKMDIWKRKQFYPH-RSSDBAIRSA-N |
| Mol Weight | 414.8 g/mol |
| Molecular Formula | C30H502D2 |
| Exact Mass | 414.419455 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DN46Bf4v760 |
|---|---|
| Name | 2,3-Dideuterolupane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50D2 |
| InChI | InChI=1S/C30H52/c1-20(2)21-12-16-27(5)18-19-29(7)22(25(21)27)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h20-25H,9-19H2,1-8H3/t21-,22-,23-,24+,25-,27+,28-,29+,30+/m0/s1/i9D,14D/t9?,14?,21-,22-,23-,24+,25-,27+,28-,29+,30+ |
| InChIKey | NKMDIWKRKQFYPH-RSSDBAIRSA-N |
| Molecular Weight | 414.758 g/mol |
| SMILES | [C@]12([C@]3([C@]([C@]4(CC([2D])C(C([C@@]4(CC3)[H])(C)C)[2D])C)([H])CC[C@]2([C@@]2([C@@](CC[C@@]2(CC1)C)(C(C)C)[H])[H])[H])C)C |
| SPLASH | splash10-0007-5910100000-2a42c6bb480a0c6c20d0 |
| Source of Spectrum | I-69-576-7 |
| Wiley ID | 1374901 |