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Diethyl[[3-(azidomethyl)-2-thienyl]methylene]-propanedioate
SpectraBase Compound ID GP81HnwAOnT
InChI InChI=1S/C13H15N3O4S/c1-3-19-12(17)10(13(18)20-4-2)7-11-9(5-6-21-11)8-15-16-14/h5-7H,3-4,8H2,1-2H3
InChIKey HIJWCTCEEMZDHR-UHFFFAOYSA-N
Mol Weight 309.34 g/mol
Molecular Formula C13H15N3O4S
Exact Mass 309.078327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2emdEC5OLVk
Name Diethyl[[3-(azidomethyl)-2-thienyl]methylene]-propanedioate
Alternate Name(s) Diethyl 2-{[3-(azidomethyl)-2-thienyl]methylene}malonate
CAS Registry Number 104085-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O4S
InChI InChI=1S/C13H15N3O4S/c1-3-19-12(17)10(13(18)20-4-2)7-11-9(5-6-21-11)8-15-16-14/h5-7H,3-4,8H2,1-2H3
InChIKey HIJWCTCEEMZDHR-UHFFFAOYSA-N
Molecular Weight 309.340 g/mol
SMILES C(=Cc1c(ccs1)CN=[N+]=[N-])(C(=O)OCC)C(=O)OCC
SPLASH splash10-0bt9-0792000000-3bb1547ec451ef33e17d
Source of Spectrum J-55-2448-5
Wiley ID 1310484