| SpectraBase Compound ID | J3fVTBM6AOB |
|---|---|
| InChI | InChI=1S/C27H36N3O11P/c1-7-36-42(34,37-8-2)25(39-24(32)19(35-6)17-12-10-9-11-13-17)22-20-21(41-27(4,5)40-20)23(38-22)30-15-14-18(28-16(3)31)29-26(30)33/h9-15,19-23,25H,7-8H2,1-6H3,(H,28,29,31,33)/t19-,20+,21-,22+,23-,25-/m1/s1 |
| InChIKey | FIPZBYTWGSXWCF-ZMKNDQDQSA-N |
| Mol Weight | 609.6 g/mol |
| Molecular Formula | C27H36N3O11P |
| Exact Mass | 609.208746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BGR8F8CeLhQ |
|---|---|
| Name | (S)-O-METHYL-MANDELATE-ESTER |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36N3O11P |
| InChI | InChI=1S/C27H36N3O11P/c1-7-36-42(34,37-8-2)25(39-24(32)19(35-6)17-12-10-9-11-13-17)22-20-21(41-27(4,5)40-20)23(38-22)30-15-14-18(28-16(3)31)29-26(30)33/h9-15,19-23,25H,7-8H2,1-6H3,(H,28,29,31,33)/t19-,20+,21-,22+,23-,25-/m1/s1 |
| InChIKey | FIPZBYTWGSXWCF-ZMKNDQDQSA-N |
| Literature Reference Author | X.CHEN,A.J.WIEMER,R.J.HOHL,D.F.WIEMER |
| Literature Reference Citation | J.ORG.CHEM.,67,9331(2002) |
| Literature Reference DOI | 10.1021/jo020483k |
| Molecular Weight | 609.570 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25329 |