| SpectraBase Compound ID | H0uvPdh6QT0 |
|---|---|
| InChI | InChI=1S/C31H41BrO9/c1-18-8-13-23-30(2,3)24(41-27(34)19-9-11-20(32)12-10-19)14-15-31(23,4)22(18)17-40-26(29(36)39-7)21(28(35)38-6)16-25(33)37-5/h9-12,21-24,26H,1,8,13-17H2,2-7H3/t21-,22+,23+,24+,26+,31-/m1/s1 |
| InChIKey | QJJHAHQSZZIMAK-VDJKHELKSA-N |
| Mol Weight | 637.6 g/mol |
| Molecular Formula | C31H41BrO9 |
| Exact Mass | 636.193396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3vyv4uIs2Rm |
|---|---|
| Name | CRYPTOPORIC-ACID-I-METHYLESTER-PARA-BROMOBENZOATE |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H41BrO9 |
| InChI | InChI=1S/C31H41BrO9/c1-18-8-13-23-30(2,3)24(41-27(34)19-9-11-20(32)12-10-19)14-15-31(23,4)22(18)17-40-26(29(36)39-7)21(28(35)38-6)16-25(33)37-5/h9-12,21-24,26H,1,8,13-17H2,2-7H3/t21-,22+,23+,24+,26+,31-/m1/s1 |
| InChIKey | QJJHAHQSZZIMAK-VDJKHELKSA-N |
| Literature Reference Author | M.HIROTANI,T.FURUYA,M.SHIRO |
| Literature Reference Citation | PHYTOCHEM.,30,1555(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)84208-A |
| Molecular Weight | 637.565 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS26062 |