Debug Info

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_id
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Hd3JBfHSIwG
spectrumID
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Hd3JBfHSIwG
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(E)-Diethyl 2-(thiophen-2-ylmethylene)succinate
SpectraBase Compound ID LExUuwbbAMB
InChI InChI=1S/C13H16O4S/c1-3-16-12(14)9-10(13(15)17-4-2)8-11-6-5-7-18-11/h5-8H,3-4,9H2,1-2H3/b10-8+
InChIKey KRVCDRLUQBDGAK-CSKARUKUSA-N
Mol Weight 268.33 g/mol
Molecular Formula C13H16O4S
Exact Mass 268.07693 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hd3JBfHSIwG
Name (E)-Diethyl 2-(thiophen-2-ylmethylene)succinate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4S
InChI InChI=1S/C13H16O4S/c1-3-16-12(14)9-10(13(15)17-4-2)8-11-6-5-7-18-11/h5-8H,3-4,9H2,1-2H3/b10-8+
InChIKey KRVCDRLUQBDGAK-CSKARUKUSA-N
Literature Reference DOI 10.1021/acs.orglett.5b01352
Molecular Weight 268.327 g/mol
SMILES c1ccc(s1)\C=C\(C(=O)OCC)CC(OCC)=O
SPLASH splash10-00di-0930000000-3236a76761c04812f1c5
Source of Spectrum A1-17-3078/SM17-3s
Synonyms Diethyl (E)-2-(thiophen-2-ylmethylene)succinate
Wiley ID 1804963
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