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Methanone, [2-(hexahydro-1H-azepin-1-yl)-4-(4-methoxyphenyl)-5-thiazolyl](4-nitrophenyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methanone, [2-(hexahydro-1H-azepin-1-yl)-4-(4-methoxyphenyl)-5-thiazolyl](4-nitrophenyl)-
SpectraBase Compound ID 3wjyCVRYQXZ
InChI InChI=1S/C23H23N3O4S/c1-30-19-12-8-16(9-13-19)20-22(21(27)17-6-10-18(11-7-17)26(28)29)31-23(24-20)25-14-4-2-3-5-15-25/h6-13H,2-5,14-15H2,1H3
InChIKey QKJCTWKZKKEGBG-UHFFFAOYSA-N
Mol Weight 437.51 g/mol
Molecular Formula C23H23N3O4S
Exact Mass 437.140927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6W8eWxD0vmu
Name Methanone, [2-(hexahydro-1H-azepin-1-yl)-4-(4-methoxyphenyl)-5-thiazolyl](4-nitrophenyl)-
CAS Registry Number 119476-66-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23N3O4S
InChI InChI=1S/C23H23N3O4S/c1-30-19-12-8-16(9-13-19)20-22(21(27)17-6-10-18(11-7-17)26(28)29)31-23(24-20)25-14-4-2-3-5-15-25/h6-13H,2-5,14-15H2,1H3
InChIKey QKJCTWKZKKEGBG-UHFFFAOYSA-N
Molecular Weight 437.514 g/mol
SMILES c1(c(nc(s1)N1CCCCCC1)-c1ccc(cc1)OC)C(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-000i-0300900000-7ac61e2e5b1bd112cec6
Source of Spectrum KC-1988-2218-4
Synonyms 1-(4-p-methoxyphenyl-5-p-nitrobenzoyl-thiazol-2-yl)hexahydroazepine [2-hexahydro-1H-azepin-1-yl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl](4-nitrophenyl)methanone
Wiley ID 1383791