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4-[2-[[4-(4-Nitrophenoxy)phenyl]thio]ethyl]quinazoline
SpectraBase Compound ID J6Zl5qnbTeH
InChI InChI=1S/C22H17N3O3S/c26-25(27)16-5-7-17(8-6-16)28-18-9-11-19(12-10-18)29-14-13-22-20-3-1-2-4-21(20)23-15-24-22/h1-12,15H,13-14H2
InChIKey JKZMDBNJFHZZRS-UHFFFAOYSA-N
Mol Weight 403.46 g/mol
Molecular Formula C22H17N3O3S
Exact Mass 403.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NSzM58IHJ7
Name 4-[2-[[4-(4-Nitrophenoxy)phenyl]thio]ethyl]quinazoline
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N3O3S
InChI InChI=1S/C22H17N3O3S/c26-25(27)16-5-7-17(8-6-16)28-18-9-11-19(12-10-18)29-14-13-22-20-3-1-2-4-21(20)23-15-24-22/h1-12,15H,13-14H2
InChIKey JKZMDBNJFHZZRS-UHFFFAOYSA-N
Molecular Weight 403.456 g/mol
SMILES c1(N(=O)=O)ccc(Oc2ccc(SCCc3c4c(cccc4)ncn3)cc2)cc1
SPLASH splash10-0a4i-0900000000-33d6769da1068033ed53
Source of Spectrum Y-34-1265-2
Wiley ID 1370868