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Ethyl 2-(4-phenyl-3,4-dihydro-2H-benzo[4,5]thieno[2,3-b]pyridin-1(1H)-yl)acetate
SpectraBase Compound ID ItrMSVjMOyA
InChI InChI=1S/C21H21NO2S/c1-2-24-19(23)14-22-13-12-16(15-8-4-3-5-9-15)20-17-10-6-7-11-18(17)25-21(20)22/h3-11,16H,2,12-14H2,1H3
InChIKey KVAUVCKIHFJSCW-UHFFFAOYSA-N
Mol Weight 351.46 g/mol
Molecular Formula C21H21NO2S
Exact Mass 351.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B21HKVtntlw
Name Ethyl 2-(4-phenyl-3,4-dihydro-2H-benzo[4,5]thieno[2,3-b]pyridin-1(1H)-yl)acetate
Appearance Pale yellow needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.129300092 u
Formula C21H21NO2S
InChI InChI=1S/C21H21NO2S/c1-2-24-19(23)14-22-13-12-16(15-8-4-3-5-9-15)20-17-10-6-7-11-18(17)25-21(20)22/h3-11,16H,2,12-14H2,1H3
InChIKey KVAUVCKIHFJSCW-UHFFFAOYSA-N
Instrument Name JEOL JMS 600
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.986
Molecular Weight 351.464 g/mol
Quality 123
SMILES C1=2SC3=C(C2C=CC=C1)C(CCN3CC(OCC)=O)C1=CC=CC=C1
SPLASH splash10-000i-0290000000-32a84a93419647d3adf5
Source of Spectrum ARK-2023-11-9a (DOI: 10.24820/ark.5550190.p011.986)
Wiley ID 1911272