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2,9-Dimethyl-4-(methylthio)-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile
SpectraBase Compound ID KKe9ACCO4bs
InChI InChI=1S/C17H16N2S2/c1-10-4-5-12-15(8-10)21-7-6-13-16(12)19-11(2)14(9-18)17(13)20-3/h4-5,8H,6-7H2,1-3H3
InChIKey BZNQPWXICJYIFO-UHFFFAOYSA-N
Mol Weight 312.45 g/mol
Molecular Formula C17H16N2S2
Exact Mass 312.075491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbY5y9Qvhvt
Name 2,9-Dimethyl-4-(methylthio)-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile
CAS Registry Number 130445-87-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2S2
InChI InChI=1S/C17H16N2S2/c1-10-4-5-12-15(8-10)21-7-6-13-16(12)19-11(2)14(9-18)17(13)20-3/h4-5,8H,6-7H2,1-3H3
InChIKey BZNQPWXICJYIFO-UHFFFAOYSA-N
Molecular Weight 312.449 g/mol
SMILES c-12nc(C)c(c(c2CCSc2c1ccc(C)c2)SC)C#N
SPLASH splash10-03di-0089000000-4f5957798057e6db7097
Source of Spectrum F-46-3712-11
Wiley ID 1313242