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[2-(1-azepanyl)-4-phenyl-5-thiazolyl]-(2,3,4,5,6-pentadeuteriophenyl)methanone

View entire compound with spectra: 1 MS (GC)

[2-(1-azepanyl)-4-phenyl-5-thiazolyl]-(2,3,4,5,6-pentadeuteriophenyl)methanone
SpectraBase Compound ID JhZ8k8rQ1Vt
InChI InChI=1S/C22H22N2OS/c25-20(18-13-7-4-8-14-18)21-19(17-11-5-3-6-12-17)23-22(26-21)24-15-9-1-2-10-16-24/h3-8,11-14H,1-2,9-10,15-16H2/i4D,7D,8D,13D,14D
InChIKey NJGRPRMHPAPTDI-KVKRPVSRSA-N
Mol Weight 367.52 g/mol
Molecular Formula C22H172D5N2OS
Exact Mass 367.176668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fpzay7pnrmk
Name [2-(1-azepanyl)-4-phenyl-5-thiazolyl]-(2,3,4,5,6-pentadeuteriophenyl)methanone
CAS Registry Number 119476-58-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17D5N2OS
InChI InChI=1S/C22H22N2OS/c25-20(18-13-7-4-8-14-18)21-19(17-11-5-3-6-12-17)23-22(26-21)24-15-9-1-2-10-16-24/h3-8,11-14H,1-2,9-10,15-16H2/i4D,7D,8D,13D,14D
InChIKey NJGRPRMHPAPTDI-KVKRPVSRSA-N
Molecular Weight 367.522 g/mol
SMILES c1(sc(N2CCCCCC2)nc1-c1ccccc1)C(=O)c1c(c([2D])c(c(c1[2D])[2D])[2D])[2D]
SPLASH splash10-014i-0309000000-b650247352c693be3d42
Source of Spectrum KC-1988-2217-4
Synonyms [2-(azepan-1-yl)-4-phenyl-1,3-thiazol-5-yl]-(2,3,4,5,6-pentadeuteriophenyl)methanone [2-(azepan-1-yl)-4-phenyl-thiazol-5-yl]-(2,3,4,5,6-pentadeuteriophenyl)methanone
Wiley ID 1349792