DOI: 10.14272/yroducxahmpkgf-rzlqrfppsa-n.1
title: DAP-CB8-(b-CD)2-rotaxane
title: InChI=1S/C134H202N8O80S2.C48H48N32O16.2BrH/c143-35-53-105-77(79(163)121(195-53)211-107-55(37-145)199-125(95(179)83(107)167)215-111-59(41-149)203-129(99(183)87(111)171)219-115-63(45-153)207-133(103(187)91(115)175)221-117-65(47-155)205-131(101(185)89(117)173)217-113-61(43-151)201-127(97(181)85(113)169)213-109-57(39-147)197-123(209-105)93(177)81(109)165)137-71(159)11-19-191-23-25-193-21-13-135-69(157)9-17-141-73(161)29-67(119(141)189)223-27-3-1-15-139-31-49-5-7-51-33-140(34-52-8-6-50(32-139)75(49)76(51)52)16-2-4-28-224-68-30-74(162)142(120(68)190)18-10-70(158)136-14-22-194-26-24-192-20-12-72(160)138-78-80(164)122-196-54(36-144)106(78)210-124-94(178)82(166)110(58(40-148)198-124)214-128-98(182)86(170)114(62(44-152)202-128)218-132-102(186)90(174)118(66(48-156)206-132)222-134-104(188)92(176)116(64(46-154)208-134)220-130-100(184)88(172)112(60(42-150)204-130)216-126-96(180)84(168)108(212-122)56(38-146)200-126;81-33-49-1-50-18-20-54(34(50)82)4-58-22-24-62(38(58)86)8-66-26-28-70(42(66)90)12-74-30-32-78(46(74)94)15-77-31-29-73(45(77)93)11-69-27-25-65(41(69)89)7-61-23-21-57(37(61)85)3-53(33)19-17(49)51-2-52(18)36(84)56(20)6-60(22)40(88)64(24)10-68(26)44(92)72(28)14-76(30)48(96)80(32)16-79(31)47(95)75(29)13-71(27)43(91)67(25)9-63(23)39(87)59(21)5-55(19)35(51)83;;/h5-8,31-34,53-68,77-118,121-134,143-156,163-188H,1-4,9-30,35-48H2,(H2-2,135,136,137,138,157,158,159,160);17-32H,1-16H2;2*1H/t53-,54-,55+,56+,57-,58-,59+,60+,61-,62-,63+,64+,65-,66-,67?,68?,77-,78-,79-,80-,81-,82-,83+,84+,85-,86-,87+,88+,89-,90-,91+,92+,93-,94-,95+,96+,97-,98-,99+,100+,101-,102-,103+,104+,105-,106-,107+,108+,109-,110-,111+,112+,113-,114-,115+,116+,117-,118-,121-,122-,123-,124-,125+,126+,127-,128-,129+,130+,131-,132-,133+,134+;17-,18+,19+,20-,21?,22?,23+,24?,25?,26?,27?,28?,29?,30?,31?,32?;;/m0.../s1

description: This dataset contains experimental data from a sample (InChI=1S/C134H202N8O80S2.C48H48N32O16.2BrH/c143-35-53-105-77(79(163)121(195-53)211-107-55(37-145)199-125(95(179)83(107)167)215-111-59(41-149)203-129(99(183)87(111)171)219-115-63(45-153)207-133(103(187)91(115)175)221-117-65(47-155)205-131(101(185)89(117)173)217-113-61(43-151)201-127(97(181)85(113)169)213-109-57(39-147)197-123(209-105)93(177)81(109)165)137-71(159)11-19-191-23-25-193-21-13-135-69(157)9-17-141-73(161)29-67(119(141)189)223-27-3-1-15-139-31-49-5-7-51-33-140(34-52-8-6-50(32-139)75(49)76(51)52)16-2-4-28-224-68-30-74(162)142(120(68)190)18-10-70(158)136-14-22-194-26-24-192-20-12-72(160)138-78-80(164)122-196-54(36-144)106(78)210-124-94(178)82(166)110(58(40-148)198-124)214-128-98(182)86(170)114(62(44-152)202-128)218-132-102(186)90(174)118(66(48-156)206-132)222-134-104(188)92(176)116(64(46-154)208-134)220-130-100(184)88(172)112(60(42-150)204-130)216-126-96(180)84(168)108(212-122)56(38-146)200-126;81-33-49-1-50-18-20-54(34(50)82)4-58-22-24-62(38(58)86)8-66-26-28-70(42(66)90)12-74-30-32-78(46(74)94)15-77-31-29-73(45(77)93)11-69-27-25-65(41(69)89)7-61-23-21-57(37(61)85)3-53(33)19-17(49)51-2-52(18)36(84)56(20)6-60(22)40(88)64(24)10-68(26)44(92)72(28)14-76(30)48(96)80(32)16-79(31)47(95)75(29)13-71(27)43(91)67(25)9-63(23)39(87)59(21)5-55(19)35(51)83;;/h5-8,31-34,53-68,77-118,121-134,143-156,163-188H,1-4,9-30,35-48H2,(H2-2,135,136,137,138,157,158,159,160);17-32H,1-16H2;2*1H/t53-,54-,55+,56+,57-,58-,59+,60+,61-,62-,63+,64+,65-,66-,67?,68?,77-,78-,79-,80-,81-,82-,83+,84+,85-,86-,87+,88+,89-,90-,91+,92+,93-,94-,95+,96+,97-,98-,99+,100+,101-,102-,103+,104+,105-,106-,107+,108+,109-,110-,111+,112+,113-,114-,115+,116+,117-,118-,121-,122-,123-,124-,125+,126+,127-,128-,129+,130+,131-,132-,133+,134+;17-,18+,19+,20-,21?,22?,23+,24?,25?,26?,27?,28?,29?,30?,31?,32?;;/m0.../s1). The datasets from the following experiments are available: diffusion-ordered spectroscopy (DOSY) electrospray ionisation time-of-flight quadrupole detection (ESI Q-TOF) 1H nuclear magnetic resonance spectroscopy (1H NMR)