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6-(4-Methoxyphenyl)sulfanylazulene-1-carbonitrile
SpectraBase Compound ID FoOFBvablV4
InChI InChI=1S/C18H13NOS/c1-20-15-5-8-17(9-6-15)21-16-7-4-13-2-3-14(12-19)18(13)11-10-16/h2-11H,1H3
InChIKey BOMTXINTJBHUBM-UHFFFAOYSA-N
Mol Weight 291.37 g/mol
Molecular Formula C18H13NOS
Exact Mass 291.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9r6mb9rzrh
Name 6-(4-Methoxyphenyl)sulfanylazulene-1-carbonitrile
Alternate Name(s) 6-[(4-methoxyphenyl)thio]-1-azulenecarbonitrile 6-[(4-methoxyphenyl)thio]azulene-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13NOS
InChI InChI=1S/C18H13NOS/c1-20-15-5-8-17(9-6-15)21-16-7-4-13-2-3-14(12-19)18(13)11-10-16/h2-11H,1H3
InChIKey BOMTXINTJBHUBM-UHFFFAOYSA-N
Molecular Weight 291.368 g/mol
SMILES c1(ccc2ccc(ccc12)Sc1ccc(cc1)OC)C#N
SPLASH splash10-0006-0290000000-7676af2717dfc3140733
Source of Spectrum U1-2000-197-5
Wiley ID 753855