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4,9-ANHYDRO-5,6,11-TRIDEOXY-TETRODOTOXIN

View entire compound with spectra: 2 NMR

4,9-ANHYDRO-5,6,11-TRIDEOXY-TETRODOTOXIN
SpectraBase Compound ID aZ04nd2Oqq
InChI InChI=1S/C11H15N3O4/c1-3-2-4-8-13-10(12)14-11(4)6(15)5(3)17-9(16)7(11)18-8/h3-8,15H,2H2,1H3,(H3,12,13,14)/p+1/t3-,4+,5-,6-,7+,8+,11-/m0/s1
InChIKey DFPSZMMXQIBSNS-HJPLPWLRSA-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 7sTSjUKCTP5
Name 4,9-ANHYDRO-5,6,11-TRIDEOXY-TETRODOTOXIN
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H16N3O4
InChI InChI=1S/C11H15N3O4/c1-3-2-4-8-13-10(12)14-11(4)6(15)5(3)17-9(16)7(11)18-8/h3-8,15H,2H2,1H3,(H3,12,13,14)/p+1/t3-,4+,5-,6-,7+,8+,11-/m0/s1
InChIKey DFPSZMMXQIBSNS-HJPLPWLRSA-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 UWIR5663