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5H-Thieno[3,2-h][1,5]oxazecine-6(7H)-carbonitrile, 4,8,9,11-tetrahydro-11-phenyl-, (.+-.)-
SpectraBase Compound ID 21beub7R3JL
InChI InChI=1S/C17H18N2OS/c18-13-19-9-4-11-20-16(14-5-2-1-3-6-14)17-15(7-10-19)8-12-21-17/h1-3,5-6,8,12,16H,4,7,9-11H2
InChIKey VZCWXFWASYDXEL-UHFFFAOYSA-N
Mol Weight 298.4 g/mol
Molecular Formula C17H18N2OS
Exact Mass 298.113984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MM4m2odI0V
Name 5H-Thieno[3,2-h][1,5]oxazecine-6(7H)-carbonitrile, 4,8,9,11-tetrahydro-11-phenyl-, (.+-.)-
CAS Registry Number 121433-67-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2OS
InChI InChI=1S/C17H18N2OS/c18-13-19-9-4-11-20-16(14-5-2-1-3-6-14)17-15(7-10-19)8-12-21-17/h1-3,5-6,8,12,16H,4,7,9-11H2
InChIKey VZCWXFWASYDXEL-UHFFFAOYSA-N
Molecular Weight 298.404 g/mol
SMILES c12C(OCCCN(C#N)CCc2ccs1)c1ccccc1
SPLASH splash10-000j-3910000000-3812549e6cb1e22868fc
Source of Spectrum B-41-1820-7
Synonyms 11-Phenyl-4,5,6,7,8,11-hexahydro-5H-thieno[3,2-h][1,5]oxazecine-6-carbonitrile 6-cyano-11-phenyl-4,6,7,8,9,11-hexahydro-5H-thieno[3,2-h][1,5]oxazecine
Wiley ID 1300980