![DCA-[G#1]-CO2CH2C6H5](/api/spectrum/BmATP5bNo5U/structure.png?h=300&w=458 "DCA-[G#1]-CO2CH2C6H5")
| SpectraBase Compound ID | BUFfUma3oyY |
|---|---|
| InChI | InChI=1S/C68H100O14/c1-40(53-23-25-55-51-21-19-47-33-49(79-42(3)69)29-31-65(47,8)57(51)35-59(67(53,55)10)81-44(5)71)17-27-61(73)77-38-64(7,63(75)76-37-46-15-13-12-14-16-46)39-78-62(74)28-18-41(2)54-24-26-56-52-22-20-48-34-50(80-43(4)70)30-32-66(48,9)58(52)36-60(68(54,56)11)82-45(6)72/h12-16,40-41,47-60H,17-39H2,1-11H3/t40-,41-,47-,48-,49-,50-,51+,52+,53-,54-,55+,56+,57+,58+,59+,60+,65+,66+,67-,68-/m1/s1 |
| InChIKey | VZJILUKQXOYRNC-LEFZKRDQSA-N |
| Mol Weight | 1141.5 g/mol |
| Molecular Formula | C68H100O14 |
| Exact Mass | 1140.711308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmATP5bNo5U |
|---|---|
| Name | DCA-[G#1]-CO2CH2C6H5 |
| Compound Number | 6C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H100O14 |
| InChI | InChI=1S/C68H100O14/c1-40(53-23-25-55-51-21-19-47-33-49(79-42(3)69)29-31-65(47,8)57(51)35-59(67(53,55)10)81-44(5)71)17-27-61(73)77-38-64(7,63(75)76-37-46-15-13-12-14-16-46)39-78-62(74)28-18-41(2)54-24-26-56-52-22-20-48-34-50(80-43(4)70)30-32-66(48,9)58(52)36-60(68(54,56)11)82-45(6)72/h12-16,40-41,47-60H,17-39H2,1-11H3/t40-,41-,47-,48-,49-,50-,51+,52+,53-,54-,55+,56+,57+,58+,59+,60+,65+,66+,67-,68-/m1/s1 |
| InChIKey | VZJILUKQXOYRNC-LEFZKRDQSA-N |
| Literature Reference Author | J.ROPPONEN,J.TAMMINEN,M.LAHTINEN,J.LINNANTO,K.RISSANEN,E.KOL EHMAINEN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,73(2005) |
| Molecular Weight | 1141.534 g/mol |
| Sample ID | 42205 |
| Solvent | CDCl3 |