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2-(2-Ethylhexyl) 3-methyl 4-oxo-4H-thieno[3,2-c]chromene-2,3-dicarboxylate
SpectraBase Compound ID 3B3BHCS6Juw
InChI InChI=1S/C22H24O6S/c1-4-6-9-13(5-2)12-27-22(25)19-17(20(23)26-3)16-18(29-19)14-10-7-8-11-15(14)28-21(16)24/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKey QNZIOCBPRJRKPB-UHFFFAOYSA-N
Mol Weight 416.49 g/mol
Molecular Formula C22H24O6S
Exact Mass 416.12936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzECwDAaFLj
Name 2-(2-Ethylhexyl) 3-methyl 4-oxo-4H-thieno[3,2-c]chromene-2,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O6S
InChI InChI=1S/C22H24O6S/c1-4-6-9-13(5-2)12-27-22(25)19-17(20(23)26-3)16-18(29-19)14-10-7-8-11-15(14)28-21(16)24/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKey QNZIOCBPRJRKPB-UHFFFAOYSA-N
Molecular Weight 416.488 g/mol
SMILES c12c(c(C(OCC(CC)CCCC)=O)sc2-c2ccccc2OC1=O)C(=O)OC
SPLASH splash10-0uk9-0094100000-bee7a66c0b34c81efff5
Source of Spectrum F-67-7954-12d
Wiley ID 1687618