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2H-1-Benzopyran-4-acetic acid, 6-fluoro-3,4-dihydro-4-[(2-methoxy-2-oxoethyl)thio]-, ethyl ester
SpectraBase Compound ID I8Rbx1xFK1Q
InChI InChI=1S/C16H19FO5S/c1-3-21-14(18)9-16(23-10-15(19)20-2)6-7-22-13-5-4-11(17)8-12(13)16/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKey WFWPSTXBJXQOPS-UHFFFAOYSA-N
Mol Weight 342.38 g/mol
Molecular Formula C16H19FO5S
Exact Mass 342.093723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ibjw3wX4dBq
Name 2H-1-Benzopyran-4-acetic acid, 6-fluoro-3,4-dihydro-4-[(2-methoxy-2-oxoethyl)thio]-, ethyl ester
Alternate Name(s) Ethyl 6-fluoro-3,4-dihydro-4-methoxycarbonylmethylthio-2H-1-benzopyran-4-ylacetate methyl {[4-(2-ethoxy-2-oxoethyl)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]sulfanyl}acetate
CAS Registry Number 121031-67-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19FO5S
InChI InChI=1S/C16H19FO5S/c1-3-21-14(18)9-16(23-10-15(19)20-2)6-7-22-13-5-4-11(17)8-12(13)16/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKey WFWPSTXBJXQOPS-UHFFFAOYSA-N
Molecular Weight 342.381 g/mol
SMILES C1(c2c(ccc(c2)F)OCC1)(CC(=O)OCC)SCC(=O)OC
SPLASH splash10-000i-0092000000-7cd80cfc6adc54bf3ebf
Source of Spectrum KC-1988-3219-9
Wiley ID 1336325