| SpectraBase Compound ID | FUO2bG9exVS |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-21(2)22-12-15-31(8)25(29(22,6)14-13-26(32)33-9)11-10-23-24-20-27(3,4)16-17-28(24,5)18-19-30(23,31)7/h10,22,24-25H,1,11-20H2,2-9H3/t22-,24-,25+,28+,29-,30+,31+/m0/s1/i13D2 |
| InChIKey | WGDZVWCPXNVONN-DUKVGBCGSA-N |
| Mol Weight | 456.8 g/mol |
| Molecular Formula | C31H482D2O2 |
| Exact Mass | 456.393634 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KmL6TJqiGT4 |
|---|---|
| Name | (2,2-D2)-Methyl nyctanthate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48D2O2 |
| InChI | InChI=1S/C31H50O2/c1-21(2)22-12-15-31(8)25(29(22,6)14-13-26(32)33-9)11-10-23-24-20-27(3,4)16-17-28(24,5)18-19-30(23,31)7/h10,22,24-25H,1,11-20H2,2-9H3/t22-,24-,25+,28+,29-,30+,31+/m0/s1/i13D2 |
| InChIKey | WGDZVWCPXNVONN-DUKVGBCGSA-N |
| Molecular Weight | 456.751 g/mol |
| SMILES | [C@]12(C([C@@]3(CC(C)(C)CC[C@@]3(CC2)C)[H])=CC[C@@]2([C@](CC(C(=O)OC)([2D])[2D])(C)[C@@](CC[C@@]12C)(C(=C)C)[H])[H])C |
| SPLASH | splash10-0ldi-0091400000-55e1dd7910f20d909946 |
| Source of Spectrum | 0-10-983-2 |
| Wiley ID | 1388953 |