John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JVbxjeU0ubE SpectraBase Spectrum ID=1kQ6i2P1Kjq

(accessed ).
HDRDXCUQYYSVRN-UHFFFAOYSA-N
SpectraBase Compound ID JVbxjeU0ubE
InChI InChI=1S/C74H123N19O22S/c1-13-36(6)53(75)66(108)86-54(35(4)5)67(109)89-57(39(9)95)70(112)82-45(19-16-27-79-74(77)78)73(115)93-29-18-21-50(93)65(107)87-55(37(7)14-2)68(110)88-56(38(8)15-3)69(111)90-59(41(11)97)72(114)91-58(40(10)96)71(113)84-46(31-42-22-24-43(98)25-23-42)61(103)80-33-51(99)92-28-17-20-49(92)64(106)85-48(34-94)63(105)83-47(32-52(100)101)62(104)81-44(60(76)102)26-30-116-12/h22-25,35-41,44-50,53-59,94-98H,13-21,26-34,75H2,1-12H3,(H2,76,102)(H,80,103)(H,81,104)(H,82,112)(H,83,105)(H,84,113)(H,85,106)(H,86,108)(H,87,107)(H,88,110)(H,89,109)(H,90,111)(H,91,114)(H,100,101)(H4,77,78,79)
InChIKey HDRDXCUQYYSVRN-UHFFFAOYSA-N
Mol Weight 1663.0 g/mol
Molecular Formula C74H123N19O22S
Exact Mass 1661.88108 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kQ6i2P1Kjq
Name HDRDXCUQYYSVRN-UHFFFAOYSA-N
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C74H123N19O22S
InChI InChI=1S/C74H123N19O22S/c1-13-36(6)53(75)66(108)86-54(35(4)5)67(109)89-57(39(9)95)70(112)82-45(19-16-27-79-74(77)78)73(115)93-29-18-21-50(93)65(107)87-55(37(7)14-2)68(110)88-56(38(8)15-3)69(111)90-59(41(11)97)72(114)91-58(40(10)96)71(113)84-46(31-42-22-24-43(98)25-23-42)61(103)80-33-51(99)92-28-17-20-49(92)64(106)85-48(34-94)63(105)83-47(32-52(100)101)62(104)81-44(60(76)102)26-30-116-12/h22-25,35-41,44-50,53-59,94-98H,13-21,26-34,75H2,1-12H3,(H2,76,102)(H,80,103)(H,81,104)(H,82,112)(H,83,105)(H,84,113)(H,85,106)(H,86,108)(H,87,107)(H,88,110)(H,89,109)(H,90,111)(H,91,114)(H,100,101)(H4,77,78,79)
InChIKey HDRDXCUQYYSVRN-UHFFFAOYSA-N
Literature Reference Author H.KALCHHAUSER,M.KRIECH,H.AHORN,W.SOMMERGRUBER
Literature Reference Citation MH.CHEM.,124,333(1993)
Literature Reference DOI 10.1007/BF00810593
Solvent H2O:D2O=4:1
Source File Reference UWMZ3504
SpectraBase Batch ID CoREimp3Ko6