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Benzothieno[3,2-d]azecine-3(2H)-carbonitrile, 1,4,5,6,7,8-hexahydro-8-oxo-
SpectraBase Compound ID CqsF73N5rug
InChI InChI=1S/C16H16N2OS/c17-11-18-9-4-3-6-14(19)16-13(8-10-18)12-5-1-2-7-15(12)20-16/h1-2,5,7H,3-4,6,8-10H2
InChIKey YZQJFZGYXSKIRN-UHFFFAOYSA-N
Mol Weight 284.38 g/mol
Molecular Formula C16H16N2OS
Exact Mass 284.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MQH2DeLYlB
Name Benzothieno[3,2-d]azecine-3(2H)-carbonitrile, 1,4,5,6,7,8-hexahydro-8-oxo-
Alternate Name(s) 3-cyano-2,3,4,5,6,7-hexahydro[1]benzothieno[3,2-d]azecin-8(1H)-one 8-Oxo-1,2,3,4,5,6,7,8-octahydro[l]benzothieno[3,2-d]azecine-3-carbonitrile
CAS Registry Number 99659-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2OS
InChI InChI=1S/C16H16N2OS/c17-11-18-9-4-3-6-14(19)16-13(8-10-18)12-5-1-2-7-15(12)20-16/h1-2,5,7H,3-4,6,8-10H2
InChIKey YZQJFZGYXSKIRN-UHFFFAOYSA-N
Molecular Weight 284.377 g/mol
SMILES c12c(c3ccccc3s2)CCN(C#N)CCCCC1=O
SPLASH splash10-03di-0920000000-77c74210ecb323f9414c
Source of Spectrum B-38-774-7
Wiley ID 1287902