![6-[5-(9H-FLUOREN-9-YL-METHOXYCARBONYLAMINO)-ISOPHTHALATE]-AMIDO-6-DEOXY-BETA-CYCLODEXTRINE](/api/spectrum/6yjwwg2iwLj/structure.png?h=300&w=458 "6-[5-(9H-FLUOREN-9-YL-METHOXYCARBONYLAMINO)-ISOPHTHALATE]-AMIDO-6-DEOXY-BETA-CYCLODEXTRINE")
| SpectraBase Compound ID | IweohUc5eSV |
|---|---|
| InChI | InChI=1S/C65H86N2O39/c68-13-29-50-37(76)44(83)60(95-29)103-52-31(15-70)97-62(46(85)39(52)78)105-54-33(17-72)99-64(48(87)41(54)80)106-55-34(18-73)98-63(47(86)40(55)79)104-53-32(16-71)96-61(45(84)38(53)77)102-51-30(14-69)94-59(43(82)36(51)75)100-49-28(93-58(101-50)42(81)35(49)74)12-66-56(88)20-9-21(57(89)90)11-22(10-20)67-65(91)92-19-27-25-7-3-1-5-23(25)24-6-2-4-8-26(24)27/h1-11,27-55,58-64,68-87H,12-19H2,(H,66,88)(H,67,91)(H,89,90)/t28-,29+,30+,31+,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+,55+,58-,59+,60+,61+,62+,63+,64+/m0/s1 |
| InChIKey | SBFYZZVTRZYTMG-VSMINOEZSA-N |
| Mol Weight | 1519.4 g/mol |
| Molecular Formula | C65H86N2O39 |
| Exact Mass | 1518.480771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6yjwwg2iwLj |
|---|---|
| Name | 6-[5-(9H-FLUOREN-9-YL-METHOXYCARBONYLAMINO)-ISOPHTHALATE]-AMIDO-6-DEOXY-BETA-CYCLODEXTRINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H86N2O39 |
| InChI | InChI=1S/C65H86N2O39/c68-13-29-50-37(76)44(83)60(95-29)103-52-31(15-70)97-62(46(85)39(52)78)105-54-33(17-72)99-64(48(87)41(54)80)106-55-34(18-73)98-63(47(86)40(55)79)104-53-32(16-71)96-61(45(84)38(53)77)102-51-30(14-69)94-59(43(82)36(51)75)100-49-28(93-58(101-50)42(81)35(49)74)12-66-56(88)20-9-21(57(89)90)11-22(10-20)67-65(91)92-19-27-25-7-3-1-5-23(25)24-6-2-4-8-26(24)27/h1-11,27-55,58-64,68-87H,12-19H2,(H,66,88)(H,67,91)(H,89,90)/t28-,29+,30+,31+,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+,55+,58-,59+,60+,61+,62+,63+,64+/m0/s1 |
| InChIKey | SBFYZZVTRZYTMG-VSMINOEZSA-N |
| Literature Reference Author | T.GRAF,B.KOENIG |
| Literature Reference Citation | MOLBANK,M348(2002) |
| Molecular Weight | 1519.388 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU83188 |