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Ethyl 2-(3-bromo-2-hydroxy-5-nitrobenzylideneamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
SpectraBase Compound ID 5elurR4d4c6
InChI InChI=1S/C18H17BrN2O5S/c1-2-26-18(23)15-12-5-3-4-6-14(12)27-17(15)20-9-10-7-11(21(24)25)8-13(19)16(10)22/h7-9,22H,2-6H2,1H3/b20-9+
InChIKey ZLEQEMOLQQZHTM-AWQFTUOYSA-N
Mol Weight 453.31 g/mol
Molecular Formula C18H17BrN2O5S
Exact Mass 452.004156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKOeyklyqjP
Name Ethyl 2-(3-bromo-2-hydroxy-5-nitrobenzylideneamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Alternate Name(s) Ethyl 2-([(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17BrN2O5S
InChI InChI=1S/C18H17BrN2O5S/c1-2-26-18(23)15-12-5-3-4-6-14(12)27-17(15)20-9-10-7-11(21(24)25)8-13(19)16(10)22/h7-9,22H,2-6H2,1H3/b20-9+
InChIKey ZLEQEMOLQQZHTM-AWQFTUOYSA-N
Molecular Weight 453.307 g/mol
SMILES Oc1c(Br)cc([N+]([O-])=O)cc1\C=N\c1c(C(=O)OCC)c2CCCCc2s1
SPLASH splash10-002p-9400000000-60e60dc818f0accabc83
Wiley ID 1469425