| SpectraBase Compound ID | 4N5SLskDaG7 |
|---|---|
| InChI | InChI=1S/C29H47NO8/c1-18(14-25-30-16-22(37-25)11-9-7-5-6-8-10-12-26(32)35-4)13-23-28(34)27(33)21(17-36-23)15-24-29(38-24)19(2)20(3)31/h14,16,19-21,23-24,27-29,31,33-34H,5-13,15,17H2,1-4H3/b18-14+/t19-,20-,21-,23?,24-,27+,28-,29-/m0/s1 |
| InChIKey | DVBZXAABMFVIFF-YEDYUJCKSA-N |
| Mol Weight | 537.7 g/mol |
| Molecular Formula | C29H47NO8 |
| Exact Mass | 537.330167 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3wj9saXKfRh |
|---|---|
| Name | 5-(8-(Methoxycarbonyl)octan-1-yll)-2-(1-normon-2-yl)oxazole |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H47NO8 |
| InChI | InChI=1S/C29H47NO8/c1-18(14-25-30-16-22(37-25)11-9-7-5-6-8-10-12-26(32)35-4)13-23-28(34)27(33)21(17-36-23)15-24-29(38-24)19(2)20(3)31/h14,16,19-21,23-24,27-29,31,33-34H,5-13,15,17H2,1-4H3/b18-14+/t19-,20-,21-,23?,24-,27+,28-,29-/m0/s1 |
| InChIKey | DVBZXAABMFVIFF-YEDYUJCKSA-N |
| Molecular Weight | 537.694 g/mol |
| SMILES | O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(COC([C@@]([C@@]1(O)[H])(O)[H])C\C(=C\c1ncc(o1)CCCCCCCCC(=O)OC)C)[H])[H])[H])(C)[H])(C)[H] |
| SPLASH | splash10-0006-0090000000-73231ded85b513bcb678 |
| Source of Spectrum | E1-39-451-2 |
| Wiley ID | 1598690 |