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Benzo[b]thiophene-3-acetic acid, 2-formyl-, ethyl ester
SpectraBase Compound ID Actub8FANSt
InChI InChI=1S/C13H12O3S/c1-2-16-13(15)7-10-9-5-3-4-6-11(9)17-12(10)8-14/h3-6,8H,2,7H2,1H3
InChIKey OMXJFFOYAPQYSW-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C13H12O3S
Exact Mass 248.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFB8hvgDTg
Name Benzo[b]thiophene-3-acetic acid, 2-formyl-, ethyl ester
Alternate Name(s) Ethyl (2-formyl-1-benzothien-3-yl)acetate Ethyl 2-formylbenzo[b]thiophen-3-ylacetate
CAS Registry Number 128405-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O3S
InChI InChI=1S/C13H12O3S/c1-2-16-13(15)7-10-9-5-3-4-6-11(9)17-12(10)8-14/h3-6,8H,2,7H2,1H3
InChIKey OMXJFFOYAPQYSW-UHFFFAOYSA-N
Molecular Weight 248.296 g/mol
SMILES c1(c(sc2c1cccc2)C=O)CC(=O)OCC
SPLASH splash10-002b-0980000000-5e364a59ac392c96df81
Source of Spectrum KC-1990-683-10
Wiley ID 1250852