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N-(3-allyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2(3H)-ylidene)-2,3-dihydro-1,4-benzodioxin-6-amine hydrobromide
SpectraBase Compound ID 1W3ST8rz32T
InChI InChI=1S/C21H18F2N2O3S.Br/c1-2-9-25-17(14-3-6-16(7-4-14)28-20(22)23)13-29-21(25)24-15-5-8-18-19(12-15)27-11-10-26-18;/h2-8,12-13,20H,1,9-11H2;/b24-21-;
InChIKey YKXLHODLBMAZGP-KKPJOBIBSA-N
Mol Weight 496.35 g/mol
Molecular Formula C21H18BrF2N2O3S
Exact Mass 495.018958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9clgIVCLotJ
Name N-(3-allyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2(3H)-ylidene)-2,3-dihydro-1,4-benzodioxin-6-amine hydrobromide
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Formula C21H19BrF2N2O3S
InChI InChI=1S/C21H18F2N2O3S.Br/c1-2-9-25-17(14-3-6-16(7-4-14)28-20(22)23)13-29-21(25)24-15-5-8-18-19(12-15)27-11-10-26-18;/h2-8,12-13,20H,1,9-11H2;/b24-21-;
InChIKey YKXLHODLBMAZGP-KKPJOBIBSA-N
Molecular Weight 497.355 g/mol
SMILES Br.C=1(N(\C(SC1)=N\c1cc2OCCOc2cc1)CC=C)c1ccc(OC(F)F)cc1
SPLASH splash10-004i-1921100000-3b9d059a7a1d048ce51d
Synonyms N-((2Z)-3-allyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2(3H)-ylidene)-2,3-dihydro-1,4-benzodioxin-6-amine hydrobromide [3-allyl-4-(4-difluoromethoxy-phenyl)-3H-thiazol-2-ylidene]-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-amine
Wiley ID 1443306