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2'-[(N-methylamino)methyl-D1]phenyl 4-toluene-D3-sulfonate
SpectraBase Compound ID KSSUvMQFIun
InChI InChI=1S/C15H17NO3S/c1-12-7-9-14(10-8-12)20(17,18)19-15-6-4-3-5-13(15)11-16-2/h3-10,16H,11H2,1-2H3/i7D,9D,10D,11D
InChIKey INWNZMUOFVYLSU-PSQNCXJTSA-N
Mol Weight 295.39 g/mol
Molecular Formula C15H132D4NO3S
Exact Mass 295.118022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFVJNAvhjwl
Name 2'-[(N-methylamino)methyl-D1]phenyl 4-toluene-D3-sulfonate
CAS Registry Number 115562-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13D4NO3S
InChI InChI=1S/C15H17NO3S/c1-12-7-9-14(10-8-12)20(17,18)19-15-6-4-3-5-13(15)11-16-2/h3-10,16H,11H2,1-2H3/i7D,9D,10D,11D
InChIKey INWNZMUOFVYLSU-PSQNCXJTSA-N
Molecular Weight 295.389 g/mol
SMILES N(C(c1c(OS(c2c(c([2D])c(cc2[2D])C)[2D])(=O)=O)cccc1)[2D])C
SPLASH splash10-000i-0900000000-945661b3b2d7e94fa689
Source of Spectrum J-53-4673-43
Wiley ID 1294475