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ZGXUTBUYWKZCNI-YIMJPLONSA-N

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ZGXUTBUYWKZCNI-YIMJPLONSA-N
SpectraBase Compound ID IGcD1gWpnR8
InChI InChI=1S/C25H31Br2NO8S/c1-12-6-8-13(9-7-12)37(30,31)28-18-17(11-15(27)19-22(18)35-24(2,3)33-19)32-21-16(29)10-14(26)20-23(21)36-25(4,5)34-20/h6-11,16-23,28-29H,1-5H3/t16-,17-,18+,19+,20-,21+,22-,23-/m0/s1
InChIKey ZGXUTBUYWKZCNI-YIMJPLONSA-N
Mol Weight 665.39 g/mol
Molecular Formula C25H31Br2NO8S
Exact Mass 663.013714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYoHm4n1Ui3
Name ZGXUTBUYWKZCNI-YIMJPLONSA-N
Compound Number 26B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31Br2NO8S
InChI InChI=1S/C25H31Br2NO8S/c1-12-6-8-13(9-7-12)37(30,31)28-18-17(11-15(27)19-22(18)35-24(2,3)33-19)32-21-16(29)10-14(26)20-23(21)36-25(4,5)34-20/h6-11,16-23,28-29H,1-5H3/t16-,17-,18+,19+,20-,21+,22-,23-/m0/s1
InChIKey ZGXUTBUYWKZCNI-YIMJPLONSA-N
Literature Reference Author B.J.PAUL,J.WILLIS,T.A.MARTINOT,I.GHIVIRIGA,K.A.ABBOUD,T.HUDL ICKY
Literature Reference Citation J.AM.CHEM.SOC.,124,10416(2002)
Literature Reference DOI 10.1021/ja0205378
Molecular Weight 665.391 g/mol
Sample ID 34801
Solvent CDCl3