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3-Methoxycarbonylmethyl-5-phenyl-2-phenylimino-3,6-dihydro-2H-1,3,4-thiadiazinium bromide
SpectraBase Compound ID 5nzEgSnK2E4
InChI InChI=1S/C18H17N3O2S.BrH/c1-23-17(22)12-21-18(19-15-10-6-3-7-11-15)24-13-16(20-21)14-8-4-2-5-9-14;/h2-11H,12-13H2,1H3;1H/b19-18+;
InChIKey ZIHBBGUNMZGZEY-LTRPLHCISA-N
Mol Weight 420.33 g/mol
Molecular Formula C18H18BrN3O2S
Exact Mass 419.030311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gi5oOWeBRfq
Name 3-Methoxycarbonylmethyl-5-phenyl-2-phenylimino-3,6-dihydro-2H-1,3,4-thiadiazinium bromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18BrN3O2S
InChI InChI=1S/C18H17N3O2S.BrH/c1-23-17(22)12-21-18(19-15-10-6-3-7-11-15)24-13-16(20-21)14-8-4-2-5-9-14;/h2-11H,12-13H2,1H3;1H/b19-18+;
InChIKey ZIHBBGUNMZGZEY-LTRPLHCISA-N
Molecular Weight 420.325 g/mol
SMILES [Br-].[NH+]1(N=C(CS\C1=N/c1ccccc1)c1ccccc1)CC(=O)OC
SPLASH splash10-0ufr-2920000000-4990fef16ede86fb642d
Source of Spectrum SO-64-520-3
Synonyms (2E)-3-(2-methoxy-2-oxoethyl)-5-phenyl-2-(phenylimino)-3,6-dihydro-2H-1,3,4-thiadiazin-3-ium bromide
Wiley ID 1540739