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4-Benzyl-5,6,7,8-tetradeuteroisoquinoline
SpectraBase Compound ID AT8C6S5T0Da
InChI InChI=1S/C16H13N/c1-2-6-13(7-3-1)10-15-12-17-11-14-8-4-5-9-16(14)15/h1-9,11-12H,10H2/i4D,5D,8D,9D
InChIKey MXOJQXCHSCJYKX-DOGSKSIHSA-N
Mol Weight 223.31 g/mol
Molecular Formula C16H92D4N
Exact Mass 223.129906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Am6FXCFHAS
Name 4-Benzyl-5,6,7,8-tetradeuteroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9D4N
InChI InChI=1S/C16H13N/c1-2-6-13(7-3-1)10-15-12-17-11-14-8-4-5-9-16(14)15/h1-9,11-12H,10H2/i4D,5D,8D,9D
InChIKey MXOJQXCHSCJYKX-DOGSKSIHSA-N
Literature Reference DOI 10.1002/ardp.19923251209
Molecular Weight 223.311 g/mol
SMILES c1ncc(c2c(c(c(c(c12)[2D])[2D])[2D])[2D])Cc1ccccc1
SPLASH splash10-00di-0190000000-948e34569e2529ad5569
Source of Spectrum APC-325-796-796_3
Synonyms 4-Benzylisoquinoline-5,6,7,8-d4
Wiley ID 1799083