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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2gX8JGX66Yo
Name Methanone, [2-(hexahydro-1H-azepin-1-yl)-4-(4-methoxyphenyl)-5-thiazolyl](4-nitrophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.140927403 u
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(N=C(S1)N1CCCCCC1)C=1C=CC(=CC1)OC)C(C1=CC=C(N(=O)=O)C=C1)=O