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(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenethioamide
SpectraBase Compound ID 85t3y0dEEeK
InChI InChI=1S/C11H8N2O2S/c12-5-8(11(13)16)3-7-1-2-9-10(4-7)15-6-14-9/h1-4H,6H2,(H2,13,16)/b8-3+
InChIKey RHTVPWVESMJUOP-FPYGCLRLSA-N
Mol Weight 232.26 g/mol
Molecular Formula C11H8N2O2S
Exact Mass 232.030649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iYZkc5f8hW
Name (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenethioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2O2S
InChI InChI=1S/C11H8N2O2S/c12-5-8(11(13)16)3-7-1-2-9-10(4-7)15-6-14-9/h1-4H,6H2,(H2,13,16)/b8-3+
InChIKey RHTVPWVESMJUOP-FPYGCLRLSA-N
Molecular Weight 232.257 g/mol
SMILES NC(\C(=C\c1cc2OCOc2cc1)C#N)=S
SPLASH splash10-001a-0970000000-3b3052d337ff559cb0bd
Source of Spectrum SK-23-2262-3
Synonyms (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enethioamide (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-thioacrylamide
Wiley ID 865605