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4,4A-ANHYDRO-5,6,11-TRIDEOXY-TETRODOTOXIN

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4,4A-ANHYDRO-5,6,11-TRIDEOXY-TETRODOTOXIN
SpectraBase Compound ID D8J7ucD3TiA
InChI InChI=1S/C11H15N3O4/c1-4-2-5-3-13-10(12)14-11(5)7(15)6(4)18-9(17)8(11)16/h3-4,6-8,15-16H,2H2,1H3,(H3,12,13,14)/p+1/t4-,6-,7-,8+,11-/m0/s1
InChIKey QVPCXDOGKWSWPM-PVRNJEFGSA-O
Mol Weight 254.27 g/mol
Molecular Formula C11H16N3O4
Exact Mass 254.114081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID pGOWxJgMzK
Name 4,4A-ANHYDRO-5,6,11-TRIDEOXY-TETRODOTOXIN
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H16N3O4
InChI InChI=1S/C11H15N3O4/c1-4-2-5-3-13-10(12)14-11(5)7(15)6(4)18-9(17)8(11)16/h3-4,6-8,15-16H,2H2,1H3,(H3,12,13,14)/p+1/t4-,6-,7-,8+,11-/m0/s1
InChIKey QVPCXDOGKWSWPM-PVRNJEFGSA-O
Literature Reference Author Y.KUDO,T.YASUMOTO,K.KONOKI,Y.CHO,M.YOTSU-YAMASHITA
Literature Reference Citation MAR.DRUGS,10,655(2012)
Literature Reference DOI 10.3390/md10030655
Molecular Weight 254.266 g/mol
Source File Reference UWIR5666