| SpectraBase Compound ID | EKQ3bZgsAHI |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-20(2)21-11-14-25-30(7)17-16-28(5)23-10-9-15-27(3,4)22(23)12-13-24(28)29(30,6)18-19-31(21,25)26(32)33-8/h12,20-21,23-25H,9-11,13-19H2,1-8H3/t21-,23-,24?,25+,28+,29-,30+,31+/m1/s1 |
| InChIKey | RCSBDKXDUJQWHO-SLPIBGANSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4QwWm5nmqTQ |
|---|---|
| Name | Methyl Adian-5-en-28-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/c1-20(2)21-11-14-25-30(7)17-16-28(5)23-10-9-15-27(3,4)22(23)12-13-24(28)29(30,6)18-19-31(21,25)26(32)33-8/h12,20-21,23-25H,9-11,13-19H2,1-8H3/t21-,23-,24?,25+,28+,29-,30+,31+/m1/s1 |
| InChIKey | RCSBDKXDUJQWHO-SLPIBGANSA-N |
| Molecular Weight | 454.739 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4(C([C@]3(CC2)C)CC=C2C(CCC[C@@]42[H])(C)C)C)C)(CC[C@@]1(C(C)C)[H])[H])C(=O)OC |
| SPLASH | splash10-05n0-0694100000-a0c827198cdbc0e15bc2 |
| Source of Spectrum | E1-40-1689-0 |
| Wiley ID | 1519553 |