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{3-[1-(ammoniomethyl)-3,4-dihydro-1H-isochromen-1-yl]propyl}(diethyl)ammonium dichloride
SpectraBase Compound ID AzmiiI4NsLx
InChI InChI=1S/C17H28N2O.2ClH/c1-3-19(4-2)12-7-11-17(14-18)16-9-6-5-8-15(16)10-13-20-17;;/h5-6,8-9H,3-4,7,10-14,18H2,1-2H3;2*1H
InChIKey IVRWDGZPLZDSBE-UHFFFAOYSA-N
Mol Weight 349.35 g/mol
Molecular Formula C17H30Cl2N2O
Exact Mass 348.173519 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6hovJtbfdbR
Name {3-[1-(ammoniomethyl)-3,4-dihydro-1H-isochromen-1-yl]propyl}(diethyl)ammonium dichloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.173518993 u
Formula C17H30Cl2N2O
InChI InChI=1S/C17H28N2O.2ClH/c1-3-19(4-2)12-7-11-17(14-18)16-9-6-5-8-15(16)10-13-20-17;;/h5-6,8-9H,3-4,7,10-14,18H2,1-2H3;2*1H
InChIKey IVRWDGZPLZDSBE-UHFFFAOYSA-N
Molecular Weight 349.346 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1395
Solvent DMSO-d6
Source Vendor ID: NMR/12269709