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2-(Ethoxycarbonyl)-3,4-(methylenedioxy)benzyl cyanide
SpectraBase Compound ID 6qVebv44shd
InChI InChI=1S/C12H11NO4/c1-2-15-12(14)10-8(5-6-13)3-4-9-11(10)17-7-16-9/h3-4H,2,5,7H2,1H3
InChIKey SBPMKRHANFYEOV-UHFFFAOYSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AM7BqpXgE5q
Name 2-(Ethoxycarbonyl)-3,4-(methylenedioxy)benzyl cyanide
CAS Registry Number 75267-20-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c1-2-15-12(14)10-8(5-6-13)3-4-9-11(10)17-7-16-9/h3-4H,2,5,7H2,1H3
InChIKey SBPMKRHANFYEOV-UHFFFAOYSA-N
Molecular Weight 233.223 g/mol
SMILES c1(c2c(OCO2)ccc1CC#N)C(=O)OCC
SPLASH splash10-052r-4940000000-863ce75d5a4e944be93e
Source of Spectrum J-45-5071-0
Synonyms Ethyl 5-(cyanomethyl)-1,3-benzodioxole-4-carboxylate
Wiley ID 1234782