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2-Hydroxy-3-(3-phenyl-1H-1,2,4-triazol-5-ylthio]-1,4-naphthoquinone
SpectraBase Compound ID 99NALG8zeMq
InChI InChI=1S/C18H11N3O3S/c22-13-11-8-4-5-9-12(11)14(23)16(15(13)24)25-18-19-17(20-21-18)10-6-2-1-3-7-10/h1-9,24H,(H,19,20,21)
InChIKey VSOLMXBZNMMIEN-UHFFFAOYSA-N
Mol Weight 349.36 g/mol
Molecular Formula C18H11N3O3S
Exact Mass 349.052112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gzKDeGCKYd
Name 2-Hydroxy-3-(3-phenyl-1H-1,2,4-triazol-5-ylthio]-1,4-naphthoquinone
Alternate Name(s) 2-Hydroxy-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]naphthoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11N3O3S
InChI InChI=1S/C18H11N3O3S/c22-13-11-8-4-5-9-12(11)14(23)16(15(13)24)25-18-19-17(20-21-18)10-6-2-1-3-7-10/h1-9,24H,(H,19,20,21)
InChIKey VSOLMXBZNMMIEN-UHFFFAOYSA-N
Molecular Weight 349.364 g/mol
SMILES OC1=C(Sc2nc(n[nH]2)-c2ccccc2)C(c2c(C1=O)cccc2)=O
SPLASH splash10-0f6t-2609000000-7368b22071840135961f
Source of Spectrum Y1-32-366-3
Wiley ID 1525934