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Diethyl[(3-methyl-2-thienyl)methylene]propanedioate
SpectraBase Compound ID nHmFvgWMgN
InChI InChI=1S/C13H16O4S/c1-4-16-12(14)10(13(15)17-5-2)8-11-9(3)6-7-18-11/h6-8H,4-5H2,1-3H3
InChIKey IYTYQVAYBZUMIN-UHFFFAOYSA-N
Mol Weight 268.33 g/mol
Molecular Formula C13H16O4S
Exact Mass 268.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6F0iY3ghuLf
Name Diethyl[(3-methyl-2-thienyl)methylene]propanedioate
Alternate Name(s) Diethyl 2-[(3-methyl-2-thienyl)methylene]malonate
CAS Registry Number 104085-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4S
InChI InChI=1S/C13H16O4S/c1-4-16-12(14)10(13(15)17-5-2)8-11-9(3)6-7-18-11/h6-8H,4-5H2,1-3H3
InChIKey IYTYQVAYBZUMIN-UHFFFAOYSA-N
Molecular Weight 268.327 g/mol
SMILES C(=Cc1c(ccs1)C)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0gi0-0490000000-98e71de234ed57def25d
Source of Spectrum J-55-2448-3
Wiley ID 1271823