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1-Propionyl-6,7-(methylenedioxy)-3,4-dihydroisoquinoline
SpectraBase Compound ID LenmyFFCWzO
InChI InChI=1S/C13H13NO3/c1-2-10(15)13-9-6-12-11(16-7-17-12)5-8(9)3-4-14-13/h5-6H,2-4,7H2,1H3
InChIKey BZUXHYBEDXQKBO-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JX9SYhErkz8
Name 1-Propionyl-6,7-(methylenedioxy)-3,4-dihydroisoquinoline
Alternate Name(s) 1-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-propanone
CAS Registry Number 124021-94-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-2-10(15)13-9-6-12-11(16-7-17-12)5-8(9)3-4-14-13/h5-6H,2-4,7H2,1H3
InChIKey BZUXHYBEDXQKBO-UHFFFAOYSA-N
Molecular Weight 231.251 g/mol
SMILES c12C(=NCCc2cc2OCOc2c1)C(=O)CC
SPLASH splash10-0un9-0690000000-0f9ed0dceb7c31587c12
Source of Spectrum J-55-837-37
Wiley ID 1232771