| SpectraBase Compound ID | 2iDT4oBg6JL |
|---|---|
| InChI | InChI=1S/C32H50O5/c1-18(2)19-12-15-32(27(35)37-9)17-16-29(5)20(23(19)32)10-11-22-30(29,6)14-13-21-28(3,4)25(33)24(26(34)36-8)31(21,22)7/h19-25,33H,1,10-17H2,2-9H3/t19?,20?,21?,22?,23?,24-,25+,29?,30?,31?,32?/m1/s1 |
| InChIKey | OTJNVRIBONQVIF-IZXMIYSVSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C32H50O5 |
| Exact Mass | 514.365825 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LRPum51Z9Y1 |
|---|---|
| Name | Ceanothic acid - dimethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H50O5 |
| InChI | InChI=1S/C32H50O5/c1-18(2)19-12-15-32(27(35)37-9)17-16-29(5)20(23(19)32)10-11-22-30(29,6)14-13-21-28(3,4)25(33)24(26(34)36-8)31(21,22)7/h19-25,33H,1,10-17H2,2-9H3/t19?,20?,21?,22?,23?,24-,25+,29?,30?,31?,32?/m1/s1 |
| InChIKey | OTJNVRIBONQVIF-IZXMIYSVSA-N |
| Molecular Weight | 514.747 g/mol |
| SMILES | O[C@]1([C@@](C2(C3C(C4(CCC5(C(C4CC3)C(CC5)C(=C)C)C(=O)OC)C)(C)CCC2C1(C)C)C)(C(=O)OC)[H])[H] |
| SPLASH | splash10-0g4i-2910000000-19ebffd518e95fcf8a80 |
| Source of Spectrum | X2-55-606-6 |
| Wiley ID | 1604461 |