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2-(4-Nitrophenyl)-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
SpectraBase Compound ID 50xxSmCPYP9
InChI InChI=1S/C17H15N3O3S/c21-17-16-13(18-15-4-2-1-3-9-19(15)17)10-14(24-16)11-5-7-12(8-6-11)20(22)23/h5-8,10H,1-4,9H2
InChIKey QNPSCYJECJQBII-UHFFFAOYSA-N
Mol Weight 341.39 g/mol
Molecular Formula C17H15N3O3S
Exact Mass 341.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26nYl7Fr3tQ
Name 2-(4-Nitrophenyl)-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
CAS Registry Number 312529-71-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15N3O3S
InChI InChI=1S/C17H15N3O3S/c21-17-16-13(18-15-4-2-1-3-9-19(15)17)10-14(24-16)11-5-7-12(8-6-11)20(22)23/h5-8,10H,1-4,9H2
InChIKey QNPSCYJECJQBII-UHFFFAOYSA-N
Molecular Weight 341.385 g/mol
SMILES c12c(N=C3N(C2=O)CCCCC3)cc(s1)-c1ccc(N(=O)=O)cc1
SPLASH splash10-0006-2259000000-656544ca60ff181f7845
Source of Spectrum AD-0-2532-0
Synonyms Azepino[1,2-a]thieno[3,2-d]pyrimidin-11-one, 5,6,7,8,9,11-hexahydro-2-(4-nitrophenyl)- 2-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-thieno[1,2]pyrimido[4,5-a]azepin-11-one
Wiley ID 1426476