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6,11-DIDEOXY-TETRODOTOXIN;10,7-LACTONE-FORM
SpectraBase Compound ID HzhtQxzprVx
InChI InChI=1S/C11H17N3O6/c1-2-4(15)3-8(18)13-10(12)14-11(3)6(16)5(2)20-9(19)7(11)17/h2-8,15-18H,1H3,(H3,12,13,14)/p+1/t2-,3-,4+,5-,6-,7+,8-,11-/m1/s1
InChIKey AQAQHQRULRQRGA-BGHGXOMYSA-O
Mol Weight 288.28 g/mol
Molecular Formula C11H18N3O6
Exact Mass 288.11956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L2GOmnNVaDA
Name 6,11-DIDEOXY-TETRODOTOXIN;10,7-LACTONE-FORM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H18N3O6
InChI InChI=1S/C11H17N3O6/c1-2-4(15)3-8(18)13-10(12)14-11(3)6(16)5(2)20-9(19)7(11)17/h2-8,15-18H,1H3,(H3,12,13,14)/p+1/t2-,3-,4+,5-,6-,7+,8-,11-/m1/s1
InChIKey AQAQHQRULRQRGA-BGHGXOMYSA-O
Literature Reference Author J.H.JANG,M.YOTSU-YAMASHITA
Literature Reference Citation TOXICON,50,947(2007)
Literature Reference DOI 10.1016/j.toxicon.2007.06.026
Molecular Weight 288.280 g/mol
Source File Reference UWIR6493