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1-[2-(6-formyl-1,3-benzodioxol-yl)ethyl]-5-thioxo-2-pyrrolidinone
SpectraBase Compound ID BhCPtseLQY8
InChI InChI=1S/C14H13NO4S/c16-8-9-1-2-10-11(7-9)19-14(18-10)5-6-15-12(17)3-4-13(15)20/h1-2,7-8,14H,3-6H2
InChIKey DDSXBNHBHWHDMU-UHFFFAOYSA-N
Mol Weight 291.32 g/mol
Molecular Formula C14H13NO4S
Exact Mass 291.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vgPwuBwZ5y
Name 1-[2-(6-formyl-1,3-benzodioxol-yl)ethyl]-5-thioxo-2-pyrrolidinone
CAS Registry Number 124021-73-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO4S
InChI InChI=1S/C14H13NO4S/c16-8-9-1-2-10-11(7-9)19-14(18-10)5-6-15-12(17)3-4-13(15)20/h1-2,7-8,14H,3-6H2
InChIKey DDSXBNHBHWHDMU-UHFFFAOYSA-N
Molecular Weight 291.321 g/mol
SMILES C1(N(C(CC1)=O)CCC1Oc2cc(C=O)ccc2O1)=S
SPLASH splash10-052b-0940000000-1dba74c4a81e5e9994ec
Source of Spectrum J-55-834-11
Synonyms 2-[2-(2-oxo-5-thioxo-1-pyrrolidinyl)ethyl]-1,3-benzodioxole-5-carbaldehyde
Wiley ID 1294414