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XVNPOZHTKGKFSZ-UXQVGZBCSA-N

View entire compound with spectra: 1 NMR, and 1 MS (GC)

XVNPOZHTKGKFSZ-UXQVGZBCSA-N
SpectraBase Compound ID FI5MVwuEjPY
InChI InChI=1S/C34H50N2O2S/c1-29(11-7-15-31-17-21-37-23-31)13-9-19-33(26-35(3)4)25-34(39-28-33,27-36(5)6)20-10-14-30(2)12-8-16-32-18-22-38-24-32/h7-10,13-18,21-24,29-30H,11-12,19-20,25-28H2,1-6H3/b13-9+,14-10+,15-7+,16-8+
InChIKey XVNPOZHTKGKFSZ-UXQVGZBCSA-N
Mol Weight 550.8 g/mol
Molecular Formula C34H50N2O2S
Exact Mass 550.3593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYF9dDCNq6F
Name 2,4-Bis[7-(3-furyl)-4-methylhepta-2,6-dienyl]-2,4-bis(N,N-dimethylaminomethyl)tetrahydrothiophene
Alternate Name(s) 2,5-anhydro-1,3,4-trideoxy-1-(dimethylamino)-4-[(dimethylamino)methyl]-2,4-bis[(2E,6E)-7-(3-furyl)-4-methyl-2,6-heptadienyl]-2-thiopentitol
CAS Registry Number 95391-71-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H50N2O2S
InChI InChI=1S/C34H50N2O2S/c1-29(11-7-15-31-17-21-37-23-31)13-9-19-33(26-35(3)4)25-34(39-28-33,27-36(5)6)20-10-14-30(2)12-8-16-32-18-22-38-24-32/h7-10,13-18,21-24,29-30H,11-12,19-20,25-28H2,1-6H3/b13-9+,14-10+,15-7+,16-8+
InChIKey XVNPOZHTKGKFSZ-UXQVGZBCSA-N
Molecular Weight 550.846 g/mol
SMILES C1(CC(CN(C)C)(C\C=C\C(C\C=C\c2cocc2)C)SC1)(CN(C)C)C\C=C\C(C\C=C\c1cocc1)C
SPLASH splash10-0a4i-9200000000-ffadf8cd31f5917f62bc
Source of Spectrum W5-1989-38383-27153
Wiley ID 1405772