| SpectraBase Compound ID | B0XYsKItDwB |
|---|---|
| InChI | InChI=1S/C68H81Br3O17/c1-40-12-26-55-65(3,4)28-10-30-67(55,6)50(40)34-85-60(64(80)82-9)49(33-58(76)84-37-53(73)43-16-22-46(70)23-17-43)62(78)88-39-66(5)29-11-31-68(7)51(41(2)13-27-56(66)68)35-86-59(63(79)81-8)48(61(77)87-38-54(74)44-18-24-47(71)25-19-44)32-57(75)83-36-52(72)42-14-20-45(69)21-15-42/h14-25,48-51,55-56,59-60H,1-2,10-13,26-39H2,3-9H3/t48-,49+,50-,51+,55?,56?,59-,60+,66+,67+,68-/m1/s1 |
| InChIKey | KVEOHOCVHNMLLB-SNFAFAAYSA-N |
| Mol Weight | 1410.1 g/mol |
| Molecular Formula | C68H81Br3O17 |
| Exact Mass | 1406.30239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D35BhDBvPfJ |
|---|---|
| Name | CRYPTOPORIC ACID C-6',6'''-DI-(P-BROMOPHENYL-CARBONYL-METHYLESTER) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C68H81Br3O17 |
| InChI | InChI=1S/C68H81Br3O17/c1-40-12-26-55-65(3,4)28-10-30-67(55,6)50(40)34-85-60(64(80)82-9)49(33-58(76)84-37-53(73)43-16-22-46(70)23-17-43)62(78)88-39-66(5)29-11-31-68(7)51(41(2)13-27-56(66)68)35-86-59(63(79)81-8)48(61(77)87-38-54(74)44-18-24-47(71)25-19-44)32-57(75)83-36-52(72)42-14-20-45(69)21-15-42/h14-25,48-51,55-56,59-60H,1-2,10-13,26-39H2,3-9H3/t48-,49+,50-,51+,55?,56?,59-,60+,66+,67+,68-/m1/s1 |
| InChIKey | KVEOHOCVHNMLLB-SNFAFAAYSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |