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Ethyl 2-((methylimino)methyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
SpectraBase Compound ID CorbRoXG7Cz
InChI InChI=1S/C13H17NO2S/c1-3-16-13(15)12-9-6-4-5-7-10(9)17-11(12)8-14-2/h8H,3-7H2,1-2H3
InChIKey LYAAJVIOCJIKBE-UHFFFAOYSA-N
Mol Weight 251.34 g/mol
Molecular Formula C13H17NO2S
Exact Mass 251.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6E1Xp5rEPCx
Name Ethyl 2-((methylimino)methyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Appearance Light-yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.097999963 u
Formula C13H17NO2S
InChI InChI=1S/C13H17NO2S/c1-3-16-13(15)12-9-6-4-5-7-10(9)17-11(12)8-14-2/h8H,3-7H2,1-2H3
InChIKey LYAAJVIOCJIKBE-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201048
Molecular Weight 251.344 g/mol
Quality 619
SMILES C1=2C(=C(SC2CCCC1)C=NC)C(OCC)=O
SPLASH splash10-00di-0390000000-5dc1de9ee78943484e48
Source of Spectrum K1-2022-SM144-23c (DOI: 10.1002/ejoc.202201048)
Wiley ID 1907897