| SpectraBase Compound ID | IKs8SpjEknD |
|---|---|
| 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/i14D/t14?,21-,22-,23-,24+,25-,27+,28-,29+,30+ |
| InChIKey | NKMDIWKRKQFYPH-HCXAEKFQSA-N |
| Mol Weight | 413.8 g/mol |
| Molecular Formula | C30H512D |
| Exact Mass | 413.413178 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9RK2uw84Dyv |
|---|---|
| Name | 3-Deuterolupane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H51D |
| 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/i14D/t14?,21-,22-,23-,24+,25-,27+,28-,29+,30+ |
| InChIKey | NKMDIWKRKQFYPH-HCXAEKFQSA-N |
| Molecular Weight | 413.752 g/mol |
| SMILES | [C@]12([C@]3([C@]([C@]4(CCC(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 | splash10-0006-7910100000-3f0bd34a4cb83e501be4 |
| Source of Spectrum | I-69-576-6 |
| Wiley ID | 1374900 |