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1-PHENYL-1,3,4,5,6,7-HEXAHYDRO-[1]-BENZOTHIENO-[3,2-G]-[1,4]-OXAZONINE-5-CARBONITRILE
SpectraBase Compound ID HqGumeYeICN
InChI InChI=1S/C20H18N2OS/c21-14-22-11-10-17-16-8-4-5-9-18(16)24-20(17)19(23-13-12-22)15-6-2-1-3-7-15/h1-9,19H,10-13H2
InChIKey AYHHNRQFOYWQFC-UHFFFAOYSA-N
Mol Weight 334.44 g/mol
Molecular Formula C20H18N2OS
Exact Mass 334.113984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gvb5g2KWqCm
Name 1-Phenyl-3,4,6,7-tetrahydro-1H-benzothiopheno[3,2-g][1,4]oxazonine-5-carbonitrile
Alternate Name(s) 1-Phenyl-3,4,6,7-tetrahydro-1H-[1]benzothiolo[3,2-g][1,4]oxazonine-5-carbonitrile
CAS Registry Number 121433-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2OS
InChI InChI=1S/C20H18N2OS/c21-14-22-11-10-17-16-8-4-5-9-18(16)24-20(17)19(23-13-12-22)15-6-2-1-3-7-15/h1-9,19H,10-13H2
InChIKey AYHHNRQFOYWQFC-UHFFFAOYSA-N
Molecular Weight 334.437 g/mol
SMILES c12c(c3ccccc3s2)CCN(C#N)CCOC1c1ccccc1
SPLASH splash10-0019-0595000000-8875b4ddae8638917f40
Source of Spectrum B-41-1821-6
Wiley ID 1331039