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2-[3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-ynoxy]benzamide
SpectraBase Compound ID 5sItCS4Q3cG
InChI InChI=1S/C22H22N2O5/c1-24-10-9-14-12-18-20(29-13-28-18)21(26-2)19(14)16(24)7-5-11-27-17-8-4-3-6-15(17)22(23)25/h3-4,6,8,12,16H,9-11,13H2,1-2H3,(H2,23,25)
InChIKey DZNYTADGACUPSA-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C22H22N2O5
Exact Mass 394.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJJoovbQtwK
Name 2-[3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-ynoxy]benzamide
Alternate Name(s) 2-[3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-yl)prop-2-ynoxy]benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O5
InChI InChI=1S/C22H22N2O5/c1-24-10-9-14-12-18-20(29-13-28-18)21(26-2)19(14)16(24)7-5-11-27-17-8-4-3-6-15(17)22(23)25/h3-4,6,8,12,16H,9-11,13H2,1-2H3,(H2,23,25)
InChIKey DZNYTADGACUPSA-UHFFFAOYSA-N
Molecular Weight 394.427 g/mol
SMILES NC(c1c(OCC#CC2c3c(c4OCOc4cc3CCN2C)OC)cccc1)=O
SPLASH splash10-0a4l-6970000000-9074b00f32d192f7276b
Wiley ID 1455181