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1H-Naphtho[2,3-d][1,2,3]triazole-4,9-dione, 1-[2-(phenylthio)ethyl]-, 2-oxide
SpectraBase Compound ID LcqW4LJm76g
InChI InChI=1S/C18H13N3O3S/c22-17-13-8-4-5-9-14(13)18(23)16-15(17)19-21(24)20(16)10-11-25-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey BXPVWFWNNYSUFI-UHFFFAOYSA-N
Mol Weight 351.38 g/mol
Molecular Formula C18H13N3O3S
Exact Mass 351.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ncaYFe35z3
Name 1H-Naphtho[2,3-d][1,2,3]triazole-4,9-dione, 1-[2-(phenylthio)ethyl]-, 2-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3O3S
InChI InChI=1S/C18H13N3O3S/c22-17-13-8-4-5-9-14(13)18(23)16-15(17)19-21(24)20(16)10-11-25-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey BXPVWFWNNYSUFI-UHFFFAOYSA-N
Molecular Weight 351.380 g/mol
SMILES c12c(C(c3c(C2=O)cccc3)=O)[n]([n+](n1)[O-])CCSc1ccccc1
SPLASH splash10-116r-7910000000-4530a3177c33ec50cf0c
Source of Spectrum IY-1-4517-8
Wiley ID 1653161