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5-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylic acid methyl ester
SpectraBase Compound ID EfzVy3mCwDa
InChI InChI=1S/C21H21NO6/c1-22-6-5-12-8-17-18(27-10-26-17)9-14(12)15(22)7-13-3-4-16-20(28-11-25-16)19(13)21(23)24-2/h3-4,8-9,15H,5-7,10-11H2,1-2H3
InChIKey IEJPSHXIZLNIQU-UHFFFAOYSA-N
Mol Weight 383.4 g/mol
Molecular Formula C21H21NO6
Exact Mass 383.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMZ1Y9cbG52
Name 5-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylic acid methyl ester
Alternate Name(s) 5-[(6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylic acid methyl ester Methyl 5-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylate
CAS Registry Number 116965-69-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO6
InChI InChI=1S/C21H21NO6/c1-22-6-5-12-8-17-18(27-10-26-17)9-14(12)15(22)7-13-3-4-16-20(28-11-25-16)19(13)21(23)24-2/h3-4,8-9,15H,5-7,10-11H2,1-2H3
InChIKey IEJPSHXIZLNIQU-UHFFFAOYSA-N
Molecular Weight 383.400 g/mol
SMILES c1(c(CC2c3c(cc4c(c3)OCO4)CCN2C)ccc2c1OCO2)C(=O)OC
SPLASH splash10-0007-0900000000-f18a560191ec3d664bb5
Source of Spectrum F-44-1225-7
Wiley ID 1361082