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2-Methoxy-5-methyl-6-benzo[b][1]benzothiepincarbonitrile
SpectraBase Compound ID 9xOpwffY9oJ
InChI InChI=1S/C17H13NOS/c1-11-13-8-7-12(19-2)9-17(13)20-16-6-4-3-5-14(16)15(11)10-18/h3-9H,1-2H3
InChIKey YZOQHFAMAYXPFD-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C17H13NOS
Exact Mass 279.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvJdmfIvZAS
Name 2-Methoxy-5-methyl-6-benzo[b][1]benzothiepincarbonitrile
Alternate Name(s) 2-Methoxy-5-methyl-benzo[b][1]benzothiepin-6-carbonitrile 2-Methoxy-5-methyl-benzo[b][1]benzothiepine-6-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NOS
InChI InChI=1S/C17H13NOS/c1-11-13-8-7-12(19-2)9-17(13)20-16-6-4-3-5-14(16)15(11)10-18/h3-9H,1-2H3
InChIKey YZOQHFAMAYXPFD-UHFFFAOYSA-N
Molecular Weight 279.357 g/mol
SMILES C1(=C(c2c(cc(cc2)OC)Sc2c1cccc2)C)C#N
SPLASH splash10-004i-0090000000-0ad7085ed06d25078c1a
Source of Spectrum G-55-1093-0
Wiley ID 748193